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

C14H20ClN3O2 — CID 62986506

IUPACN-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide
SMILESNc1ccc(NC(=O)CCN2CCCOCC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c15-12-10-11(16)2-3-13(12)17-14(19)4-6-18-5-1-8-20-9-7-18/h2-3,10H,1,4-9,16H2,(H,17,19)
InChIKeyOIOVFSKUVSWHRL-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.97
Rot. Bonds4

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

N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide (PubChem CID 62986506) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide
PubChem CID62986506
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide
SMILESNc1ccc(NC(=O)CCN2CCCOCC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c15-12-10-11(16)2-3-13(12)17-14(19)4-6-18-5-1-8-20-9-7-18/h2-3,10H,1,4-9,16H2,(H,17,19)
InChIKeyOIOVFSKUVSWHRL-UHFFFAOYSA-N
XLogP1.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-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-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
CID 16778868
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62988964
N-(4-amino-2-chlorophenyl)-3-(3-oxo-1,4-diazepan-1-yl)propanamide
CID 65361182
2-chloro-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
CID 28904413
N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide
CID 43541661
N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
CID 62987910
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
CID 110688369
N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483704
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide (CID 62986506) is N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide is Nc1ccc(NC(=O)CCN2CCCOCC2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide?
The InChIKey is OIOVFSKUVSWHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-12-10-11(16)2-3-13(12)17-14(19)4-6-18-5-1-8-20-9-7-18/h2-3,10H,1,4-9,16H2,(H,17,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide?
N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide has a molecular weight of 297.79 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide is sourced from PubChem (CID 62986506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).