2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C15H18ClF3N2O — CID 722242

IUPAC2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCCCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H18ClF3N2O/c16-12-6-5-11(15(17,18)19)9-13(12)20-14(22)10-21-7-3-1-2-4-8-21/h5-6,9H,1-4,7-8,10H2,(H,20,22)
InChIKeyAJNJVWGYJMZHRW-UHFFFAOYSA-N
MW334.77 g/mol
LogP4.17
Rot. Bonds3

About 2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 722242) has the molecular formula C15H18ClF3N2O and a molecular weight of 334.77 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID722242
Molecular FormulaC15H18ClF3N2O
Molecular Weight334.77 g/mol
Exact Mass334.11
IUPAC Name2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCCCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H18ClF3N2O/c16-12-6-5-11(15(17,18)19)9-13(12)20-14(22)10-21-7-3-1-2-4-8-21/h5-6,9H,1-4,7-8,10H2,(H,20,22)
InChIKeyAJNJVWGYJMZHRW-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194773
4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid
CID 43659203
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690692
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6467108
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 166602037
2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 171691231
ethyl (3R)-1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 8532524
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5079389
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 1276717
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3236086
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]acetamide
CID 163352409

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 722242) is 2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCCCCC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AJNJVWGYJMZHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O/c16-12-6-5-11(15(17,18)19)9-13(12)20-14(22)10-21-7-3-1-2-4-8-21/h5-6,9H,1-4,7-8,10H2,(H,20,22).
What are the key properties of 2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 334.77 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 722242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).