2-(azepan-1-yl)-N-(3-bromophenyl)acetamide

C14H19BrN2O — CID 2958639

IUPAC2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c15-12-6-5-7-13(10-12)16-14(18)11-17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11H2,(H,16,18)
InChIKeyGBBVKBNTRYWSBZ-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.26
Rot. Bonds3

About 2-(azepan-1-yl)-N-(3-bromophenyl)acetamide

2-(azepan-1-yl)-N-(3-bromophenyl)acetamide (PubChem CID 2958639) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
PubChem CID2958639
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c15-12-6-5-7-13(10-12)16-14(18)11-17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11H2,(H,16,18)
InChIKeyGBBVKBNTRYWSBZ-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530969
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124915
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide
CID 24691128
N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086174
N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2124819
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(3-bromophenyl)acetamide (CID 2958639) is 2-(azepan-1-yl)-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(3-bromophenyl)acetamide is O=C(CN1CCCCCC1)Nc1cccc(Br)c1.
What is the InChIKey of 2-(azepan-1-yl)-N-(3-bromophenyl)acetamide?
The InChIKey is GBBVKBNTRYWSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-12-6-5-7-13(10-12)16-14(18)11-17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11H2,(H,16,18).
What are the key properties of 2-(azepan-1-yl)-N-(3-bromophenyl)acetamide?
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide has a molecular weight of 311.22 g/mol, XLogP of 3.26, 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-(3-bromophenyl)acetamide is sourced from PubChem (CID 2958639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).