3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide

C19H16Cl2F2N2O2 — CID 154754631

IUPAC3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
SMILESO=C(NC1CCCC1NC(=O)c1cccc(Cl)c1F)c1cccc(Cl)c1F
InChIInChI=1S/C19H16Cl2F2N2O2/c20-12-6-1-4-10(16(12)22)18(26)24-14-8-3-9-15(14)25-19(27)11-5-2-7-13(21)17(11)23/h1-2,4-7,14-15H,3,8-9H2,(H,24,26)(H,25,27)
InChIKeyNHXNVDDBQIPRLQ-UHFFFAOYSA-N
MW413.25 g/mol
LogP4.35
Rot. Bonds4

About 3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide

3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide (PubChem CID 154754631) has the molecular formula C19H16Cl2F2N2O2 and a molecular weight of 413.25 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
PubChem CID154754631
Molecular FormulaC19H16Cl2F2N2O2
Molecular Weight413.25 g/mol
Exact Mass412.06
IUPAC Name3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
SMILESO=C(NC1CCCC1NC(=O)c1cccc(Cl)c1F)c1cccc(Cl)c1F
InChIInChI=1S/C19H16Cl2F2N2O2/c20-12-6-1-4-10(16(12)22)18(26)24-14-8-3-9-15(14)25-19(27)11-5-2-7-13(21)17(11)23/h1-2,4-7,14-15H,3,8-9H2,(H,24,26)(H,25,27)
InChIKeyNHXNVDDBQIPRLQ-UHFFFAOYSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.25
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide
CID 114179501
N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide
CID 106367232
3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
2,3-dichloro-N-(2-chlorocyclopentyl)benzamide
CID 106443948
3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
CID 114550116
N-(2-aminocyclopentyl)-2-chlorobenzamide
CID 63251263
2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813494
N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide
CID 80718134
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104956755
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide?
The IUPAC name of 3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide (CID 154754631) is 3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide is O=C(NC1CCCC1NC(=O)c1cccc(Cl)c1F)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide?
The InChIKey is NHXNVDDBQIPRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F2N2O2/c20-12-6-1-4-10(16(12)22)18(26)24-14-8-3-9-15(14)25-19(27)11-5-2-7-13(21)17(11)23/h1-2,4-7,14-15H,3,8-9H2,(H,24,26)(H,25,27).
What are the key properties of 3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide?
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide has a molecular weight of 413.25 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide is sourced from PubChem (CID 154754631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).