2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide

C26H28ClN3O2 — CID 60585100

IUPAC2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCCN(C(=O)c2cccc(Cl)c2)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H28ClN3O2/c1-19(23-12-5-8-20-7-2-3-11-24(20)23)28-25(31)18-29-13-6-14-30(16-15-29)26(32)21-9-4-10-22(27)17-21/h2-5,7-12,17,19H,6,13-16,18H2,1H3,(H,28,31)
InChIKeyWBENVQMMGODTCQ-UHFFFAOYSA-N
MW449.98 g/mol
LogP4.52
Rot. Bonds5

About 2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide

2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide (PubChem CID 60585100) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is 2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
PubChem CID60585100
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC Name2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCCN(C(=O)c2cccc(Cl)c2)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H28ClN3O2/c1-19(23-12-5-8-20-7-2-3-11-24(20)23)28-25(31)18-29-13-6-14-30(16-15-29)26(32)21-9-4-10-22(27)17-21/h2-5,7-12,17,19H,6,13-16,18H2,1H3,(H,28,31)
InChIKeyWBENVQMMGODTCQ-UHFFFAOYSA-N
XLogP4.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide 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-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8549558
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide
CID 37106980
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 41104934
N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30625656
N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 9078759
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-chlorobenzoate
CID 55397519
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 134045309
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 51730374
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 47536734

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?
The IUPAC name of 2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide (CID 60585100) is 2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for 2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide is CC(NC(=O)CN1CCCN(C(=O)c2cccc(Cl)c2)CC1)c1cccc2ccccc12.
What is the InChIKey of 2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?
The InChIKey is WBENVQMMGODTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c1-19(23-12-5-8-20-7-2-3-11-24(20)23)28-25(31)18-29-13-6-14-30(16-15-29)26(32)21-9-4-10-22(27)17-21/h2-5,7-12,17,19H,6,13-16,18H2,1H3,(H,28,31).
What are the key properties of 2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?
2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide has a molecular weight of 449.98 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 60585100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).