N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide

C20H21ClN2O2 — CID 2985638

IUPACN-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C20H21ClN2O2/c21-17-11-5-3-9-15(17)19(24)22-18-12-6-4-10-16(18)20(25)23-13-7-1-2-8-14-23/h3-6,9-12H,1-2,7-8,13-14H2,(H,22,24)
InChIKeyFVRDEPOXKPBPFW-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.61
Rot. Bonds3

About N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide

N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide (PubChem CID 2985638) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
PubChem CID2985638
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C20H21ClN2O2/c21-17-11-5-3-9-15(17)19(24)22-18-12-6-4-10-16(18)20(25)23-13-7-1-2-8-14-23/h3-6,9-12H,1-2,7-8,13-14H2,(H,22,24)
InChIKeyFVRDEPOXKPBPFW-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
3,4,5,6-tetrachloro-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 16547444
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 4937958
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010
4-[(2-chlorophenyl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 19916445
4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 134012574
N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide
CID 17420584
3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905325
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28566679
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide (CID 2985638) is N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide is O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide?
The InChIKey is FVRDEPOXKPBPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-17-11-5-3-9-15(17)19(24)22-18-12-6-4-10-16(18)20(25)23-13-7-1-2-8-14-23/h3-6,9-12H,1-2,7-8,13-14H2,(H,22,24).
What are the key properties of N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide?
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide has a molecular weight of 356.85 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide is sourced from PubChem (CID 2985638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).