N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide

C16H23ClN2O2 — CID 116637464

IUPACN-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide
SMILESO=C(CCN1CCCCCC1CO)Nc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c17-13-5-4-6-14(11-13)18-16(21)8-10-19-9-3-1-2-7-15(19)12-20/h4-6,11,15,20H,1-3,7-10,12H2,(H,18,21)
InChIKeyDJVHVXPMQIQREP-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.91
Rot. Bonds5

About N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide

N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide (PubChem CID 116637464) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide
PubChem CID116637464
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide
SMILESO=C(CCN1CCCCCC1CO)Nc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c17-13-5-4-6-14(11-13)18-16(21)8-10-19-9-3-1-2-7-15(19)12-20/h4-6,11,15,20H,1-3,7-10,12H2,(H,18,21)
InChIKeyDJVHVXPMQIQREP-UHFFFAOYSA-N
XLogP2.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide 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

N-(3-chlorophenyl)-3-[(2R)-2-ethylpiperidin-1-yl]propanamide
CID 684899
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577
N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407186
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62631068
N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide
CID 61406991
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032765
N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide
CID 83052120
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
1-(3-chlorophenyl)-3-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706022
1-(3-chlorophenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706023
N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide (CID 116637464) is N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide is O=C(CCN1CCCCCC1CO)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide?
The InChIKey is DJVHVXPMQIQREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c17-13-5-4-6-14(11-13)18-16(21)8-10-19-9-3-1-2-7-15(19)12-20/h4-6,11,15,20H,1-3,7-10,12H2,(H,18,21).
What are the key properties of N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide?
N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide has a molecular weight of 310.82 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide is sourced from PubChem (CID 116637464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).