2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide

C23H15Cl6N3O2 — CID 122622269

IUPAC2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cc(NC(=O)C2C(c3cc(Cl)c(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C23H15Cl6N3O2/c24-15-5-4-12(9-14(15)21(33)31-10-13-3-1-2-6-30-13)32-22(34)19-18(23(19,28)29)11-7-16(25)20(27)17(26)8-11/h1-9,18-19H,10H2,(H,31,33)(H,32,34)
InChIKeyDDHJDVDPMJPHNE-UHFFFAOYSA-N
MW578.11 g/mol
LogP7.15
Rot. Bonds6

About 2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide

2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 122622269) has the molecular formula C23H15Cl6N3O2 and a molecular weight of 578.11 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID122622269
Molecular FormulaC23H15Cl6N3O2
Molecular Weight578.11 g/mol
Exact Mass574.93
IUPAC Name2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cc(NC(=O)C2C(c3cc(Cl)c(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C23H15Cl6N3O2/c24-15-5-4-12(9-14(15)21(33)31-10-13-3-1-2-6-30-13)32-22(34)19-18(23(19,28)29)11-7-16(25)20(27)17(26)8-11/h1-9,18-19H,10H2,(H,31,33)(H,32,34)
InChIKeyDDHJDVDPMJPHNE-UHFFFAOYSA-N
XLogP7.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.11
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 122621513
2,2-dichloro-N-[4-chloro-3-[(pyridin-2-ylamino)carbamoyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 134418395
2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,2-difluorocyclopropyl)benzamide
CID 122632814
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(thiolan-3-yl)benzamide
CID 122615387
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 138546105
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 122621463
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
CID 122615414
(3R)-2,2-dichloro-N-(4-chloro-3-methylphenyl)-3-(3,4,5-trichlorophenyl)cyclopropane-1-carboxamide
CID 138653681
trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[[(3-chloro-2-pyridinyl)amino]carbamoyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 140860174
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-quinolin-7-ylbenzamide
CID 122619097
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617858
2-chloro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191580

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide (CID 122622269) is 2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1cc(NC(=O)C2C(c3cc(Cl)c(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is DDHJDVDPMJPHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl6N3O2/c24-15-5-4-12(9-14(15)21(33)31-10-13-3-1-2-6-30-13)32-22(34)19-18(23(19,28)29)11-7-16(25)20(27)17(26)8-11/h1-9,18-19H,10H2,(H,31,33)(H,32,34).
What are the key properties of 2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide?
2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 578.11 g/mol, XLogP of 7.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 122622269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).