(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone

C16H21BrClNO — CID 107952466

IUPAC(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C16H21BrClNO/c1-2-4-12-5-3-7-19(8-6-12)16(20)13-9-14(17)11-15(18)10-13/h9-12H,2-8H2,1H3
InChIKeyIZUAVQNGJUKDGI-UHFFFAOYSA-N
MW358.71 g/mol
LogP5.14
Rot. Bonds3

About (3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone

(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone (PubChem CID 107952466) has the molecular formula C16H21BrClNO and a molecular weight of 358.71 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
PubChem CID107952466
Molecular FormulaC16H21BrClNO
Molecular Weight358.71 g/mol
Exact Mass357.05
IUPAC Name(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C16H21BrClNO/c1-2-4-12-5-3-7-19(8-6-12)16(20)13-9-14(17)11-15(18)10-13/h9-12H,2-8H2,1H3
InChIKeyIZUAVQNGJUKDGI-UHFFFAOYSA-N
XLogP5.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.71
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
(3-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 142181487
(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107939965
(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110633275
(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid
CID 107938177
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103826766
(4-bromo-1-methylpyrrol-2-yl)-(4-propylazepan-1-yl)methanone
CID 49093115
N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide
CID 103826810
(6-bromo-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 66464344

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone (CID 107952466) is (3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone is CCCC1CCCN(C(=O)c2cc(Cl)cc(Br)c2)CC1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone?
The InChIKey is IZUAVQNGJUKDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClNO/c1-2-4-12-5-3-7-19(8-6-12)16(20)13-9-14(17)11-15(18)10-13/h9-12H,2-8H2,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone?
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone has a molecular weight of 358.71 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone is sourced from PubChem (CID 107952466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).