N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide

C25H23ClN2O4 — CID 26210798

IUPACN-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H23ClN2O4/c1-31-21-15-20(28-24(30)25(12-13-25)17-8-10-18(26)11-9-17)22(32-2)14-19(21)27-23(29)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyCYTZUJUMMXNSNW-UHFFFAOYSA-N
MW450.92 g/mol
LogP5.28
Rot. Bonds7

About N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide

N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide (PubChem CID 26210798) has the molecular formula C25H23ClN2O4 and a molecular weight of 450.92 g/mol. Its IUPAC name is N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide
PubChem CID26210798
Molecular FormulaC25H23ClN2O4
Molecular Weight450.92 g/mol
Exact Mass450.13
IUPAC NameN-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H23ClN2O4/c1-31-21-15-20(28-24(30)25(12-13-25)17-8-10-18(26)11-9-17)22(32-2)14-19(21)27-23(29)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyCYTZUJUMMXNSNW-UHFFFAOYSA-N
XLogP5.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.92
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 29457055
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(5-acetamido-2-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 26243035
N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198551
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 86857924
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19187598
N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide
CID 24635188
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide?
The IUPAC name of N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide (CID 26210798) is N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide is COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c(OC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide?
The InChIKey is CYTZUJUMMXNSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O4/c1-31-21-15-20(28-24(30)25(12-13-25)17-8-10-18(26)11-9-17)22(32-2)14-19(21)27-23(29)16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide?
N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide has a molecular weight of 450.92 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide is sourced from PubChem (CID 26210798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).