3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide

C23H14Cl4F2N2O2 — CID 140860102

IUPAC3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(NC(=O)[C@H]2[C@H](c3ccc(F)c(Cl)c3)C2(Cl)Cl)cc(Cl)c1F
InChIInChI=1S/C23H14Cl4F2N2O2/c24-15-8-11(6-7-17(15)28)18-19(23(18,26)27)22(33)31-13-9-14(20(29)16(25)10-13)21(32)30-12-4-2-1-3-5-12/h1-10,18-19H,(H,30,32)(H,31,33)/t18-,19+/m0/s1
InChIKeyFVUSCDHGXGHRTM-RBUKOAKNSA-N
MW530.19 g/mol
LogP7.05
Rot. Bonds5

About 3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide

3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide (PubChem CID 140860102) has the molecular formula C23H14Cl4F2N2O2 and a molecular weight of 530.19 g/mol. Its IUPAC name is 3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide.

Molecular Properties

Compound Name3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide
PubChem CID140860102
Molecular FormulaC23H14Cl4F2N2O2
Molecular Weight530.19 g/mol
Exact Mass527.98
IUPAC Name3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(NC(=O)[C@H]2[C@H](c3ccc(F)c(Cl)c3)C2(Cl)Cl)cc(Cl)c1F
InChIInChI=1S/C23H14Cl4F2N2O2/c24-15-8-11(6-7-17(15)28)18-19(23(18,26)27)22(33)31-13-9-14(20(29)16(25)10-13)21(32)30-12-4-2-1-3-5-12/h1-10,18-19H,(H,30,32)(H,31,33)/t18-,19+/m0/s1
InChIKeyFVUSCDHGXGHRTM-RBUKOAKNSA-N
XLogP7.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.19
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618862
2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide
CID 122630258
2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide
CID 175133019
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide
CID 122618432
N-(4-amino-3,5-difluorophenyl)-2-chloro-5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 134418215
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122618686
N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-3-methylbenzamide
CID 140859561
5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-methoxy-3-methylbenzoic acid
CID 163844209
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide
CID 122617362
2,4-dichloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-phenylbenzamide
CID 122617411
N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 138652504

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide?
The IUPAC name of 3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide (CID 140860102) is 3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide.
What is the SMILES notation for 3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide?
The canonical SMILES for 3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide is O=C(Nc1ccccc1)c1cc(NC(=O)[C@H]2[C@H](c3ccc(F)c(Cl)c3)C2(Cl)Cl)cc(Cl)c1F.
What is the InChIKey of 3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide?
The InChIKey is FVUSCDHGXGHRTM-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H14Cl4F2N2O2/c24-15-8-11(6-7-17(15)28)18-19(23(18,26)27)22(33)31-13-9-14(20(29)16(25)10-13)21(32)30-12-4-2-1-3-5-12/h1-10,18-19H,(H,30,32)(H,31,33)/t18-,19+/m0/s1.
What are the key properties of 3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide?
3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide has a molecular weight of 530.19 g/mol, XLogP of 7.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide is sourced from PubChem (CID 140860102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).