N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide

C15H21ClN2O2 — CID 64564595

IUPACN-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCCCN2)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-2-20-14-8-7-11(10-12(14)16)18-15(19)13-6-4-3-5-9-17-13/h7-8,10,13,17H,2-6,9H2,1H3,(H,18,19)
InChIKeyOJVOTUHDSNHXPJ-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.21
Rot. Bonds4

About N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide

N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide (PubChem CID 64564595) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide
PubChem CID64564595
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCCCN2)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-2-20-14-8-7-11(10-12(14)16)18-15(19)13-6-4-3-5-9-17-13/h7-8,10,13,17H,2-6,9H2,1H3,(H,18,19)
InChIKeyOJVOTUHDSNHXPJ-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932
(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61179228
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 103808938
N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 43712591
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119717666
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide
CID 122081630
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
CID 107621689
N-(3-chloro-4-ethoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119285013
(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide
CID 119679429
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2R)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 119846962

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide?
The IUPAC name of N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide (CID 64564595) is N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide is CCOc1ccc(NC(=O)C2CCCCCN2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide?
The InChIKey is OJVOTUHDSNHXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-20-14-8-7-11(10-12(14)16)18-15(19)13-6-4-3-5-9-17-13/h7-8,10,13,17H,2-6,9H2,1H3,(H,18,19).
What are the key properties of N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide?
N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide is sourced from PubChem (CID 64564595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).