N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide

C15H20ClN3O4 — CID 111432003

IUPACN-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
SMILESO=C(CN(CCCCO)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H20ClN3O4/c16-11-3-6-13(14(9-11)19(22)23)17-15(21)10-18(12-4-5-12)7-1-2-8-20/h3,6,9,12,20H,1-2,4-5,7-8,10H2,(H,17,21)
InChIKeyZQIUQPFBSQGPDB-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.42
Rot. Bonds9

About N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide

N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide (PubChem CID 111432003) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
PubChem CID111432003
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC NameN-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
SMILESO=C(CN(CCCCO)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H20ClN3O4/c16-11-3-6-13(14(9-11)19(22)23)17-15(21)10-18(12-4-5-12)7-1-2-8-20/h3,6,9,12,20H,1-2,4-5,7-8,10H2,(H,17,21)
InChIKeyZQIUQPFBSQGPDB-UHFFFAOYSA-N
XLogP2.42
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]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-(4-chloro-2-nitrophenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567375
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78897433
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 102848440
2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 111457031
N-(3-chloro-4-fluorophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
CID 111431998
2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide
CID 111457011
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60510266
2-[cyclopropyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 60833248
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8770143
N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
CID 111108098
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 46444137
2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide
CID 8841188

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide (CID 111432003) is N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide is O=C(CN(CCCCO)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide?
The InChIKey is ZQIUQPFBSQGPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c16-11-3-6-13(14(9-11)19(22)23)17-15(21)10-18(12-4-5-12)7-1-2-8-20/h3,6,9,12,20H,1-2,4-5,7-8,10H2,(H,17,21).
What are the key properties of N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide?
N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide has a molecular weight of 341.80 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide is sourced from PubChem (CID 111432003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).