N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide

C14H20ClN3O — CID 43340912

IUPACN-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
SMILESO=C(CCN1CCCNCC1)Nc1ccccc1Cl
InChIInChI=1S/C14H20ClN3O/c15-12-4-1-2-5-13(12)17-14(19)6-10-18-9-3-7-16-8-11-18/h1-2,4-5,16H,3,6-11H2,(H,17,19)
InChIKeyYACZYASQAFHANH-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.96
Rot. Bonds4

About N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide

N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide (PubChem CID 43340912) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
PubChem CID43340912
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
SMILESO=C(CCN1CCCNCC1)Nc1ccccc1Cl
InChIInChI=1S/C14H20ClN3O/c15-12-4-1-2-5-13(12)17-14(19)6-10-18-9-3-7-16-8-11-18/h1-2,4-5,16H,3,6-11H2,(H,17,19)
InChIKeyYACZYASQAFHANH-UHFFFAOYSA-N
XLogP1.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340911
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145302
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660334
N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 47148429
N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24587396
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78963268
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide (CID 43340912) is N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide is O=C(CCN1CCCNCC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide?
The InChIKey is YACZYASQAFHANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-12-4-1-2-5-13(12)17-14(19)6-10-18-9-3-7-16-8-11-18/h1-2,4-5,16H,3,6-11H2,(H,17,19).
What are the key properties of N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide?
N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide has a molecular weight of 281.79 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide is sourced from PubChem (CID 43340912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).