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

C17H24ClN3O2 — CID 87021789

IUPACN-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide
SMILESCCC(=O)N1CCCN(C(C)C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-3-16(22)21-9-5-8-20(10-11-21)13(2)17(23)19-15-7-4-6-14(18)12-15/h4,6-7,12-13H,3,5,8-11H2,1-2H3,(H,19,23)
InChIKeyXETHYKQWLDKZTH-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.61
Rot. Bonds4

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

N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide (PubChem CID 87021789) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide
PubChem CID87021789
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide
SMILESCCC(=O)N1CCCN(C(C)C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-3-16(22)21-9-5-8-20(10-11-21)13(2)17(23)19-15-7-4-6-14(18)12-15/h4,6-7,12-13H,3,5,8-11H2,1-2H3,(H,19,23)
InChIKeyXETHYKQWLDKZTH-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-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

(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 8774686
2-(4-propanoyl-1,4-diazepan-1-yl)-N-pyrimidin-2-ylpropanamide
CID 78904136
(2R)-2-(4-butanoyl-1,4-diazepan-1-yl)-N-(3,4-difluorophenyl)propanamide
CID 52503097
N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55566269
2-(4-butanoyl-1,4-diazepan-1-yl)-N-(3,4-difluorophenyl)propanamide
CID 47068776
(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 92987466
2-(4-propanoyl-1,4-diazepan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 87021855
N-(3-chlorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 86908959
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918800
(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 27159268
N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083488
2-(4-butanoyl-1,4-diazepan-1-yl)-N-(2-chlorophenyl)propanamide
CID 47068779

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide (CID 87021789) is N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide is CCC(=O)N1CCCN(C(C)C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide?
The InChIKey is XETHYKQWLDKZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-3-16(22)21-9-5-8-20(10-11-21)13(2)17(23)19-15-7-4-6-14(18)12-15/h4,6-7,12-13H,3,5,8-11H2,1-2H3,(H,19,23).
What are the key properties of N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide?
N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide has a molecular weight of 337.85 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide is sourced from PubChem (CID 87021789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).