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

C14H20ClN3O — CID 43340911

IUPACN-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
SMILESO=C(CCN1CCCNCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c15-12-3-1-4-13(11-12)17-14(19)5-9-18-8-2-6-16-7-10-18/h1,3-4,11,16H,2,5-10H2,(H,17,19)
InChIKeyYSXXFVPRWKONGU-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.96
Rot. Bonds4

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

N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide (PubChem CID 43340911) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
PubChem CID43340911
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
SMILESO=C(CCN1CCCNCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c15-12-3-1-4-13(11-12)17-14(19)5-9-18-8-2-6-16-7-10-18/h1,3-4,11,16H,2,5-10H2,(H,17,19)
InChIKeyYSXXFVPRWKONGU-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-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340912
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)propanamide
CID 55482910
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
N-(3-chlorophenyl)-3-(2,2-dimethylpiperazin-1-yl)propanamide
CID 65462766
N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 55023239
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
N-(3,5-dichlorophenyl)-3-piperidin-1-ylpropanamide
CID 23906957
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 2901592
3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide
CID 33215010
N-(3-chlorophenyl)-3-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]propanamide
CID 60500646

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide (CID 43340911) is N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide is O=C(CCN1CCCNCC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide?
The InChIKey is YSXXFVPRWKONGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-12-3-1-4-13(11-12)17-14(19)5-9-18-8-2-6-16-7-10-18/h1,3-4,11,16H,2,5-10H2,(H,17,19).
What are the key properties of N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide?
N-(3-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-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide is sourced from PubChem (CID 43340911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).