N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide

C14H20ClN3O4 — CID 111108098

IUPACN-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCC(O)CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C14H20ClN3O4/c1-9(2)17(7-10(3)19)8-14(20)16-12-5-4-11(15)6-13(12)18(21)22/h4-6,9-10,19H,7-8H2,1-3H3,(H,16,20)
InChIKeyDVLLKTJHLQIDBL-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.28
Rot. Bonds7

About N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide

N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide (PubChem CID 111108098) has the molecular formula C14H20ClN3O4 and a molecular weight of 329.78 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
PubChem CID111108098
Molecular FormulaC14H20ClN3O4
Molecular Weight329.78 g/mol
Exact Mass329.11
IUPAC NameN-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCC(O)CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C14H20ClN3O4/c1-9(2)17(7-10(3)19)8-14(20)16-12-5-4-11(15)6-13(12)18(21)22/h4-6,9-10,19H,7-8H2,1-3H3,(H,16,20)
InChIKeyDVLLKTJHLQIDBL-UHFFFAOYSA-N
XLogP2.28
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)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

2-[2-acetamidoethyl-[2-(4-chloro-2-nitroanilino)-2-oxoethyl]amino]propanoic acid
CID 122120587
3-amino-N-(4-chloro-2-nitrophenyl)butanamide
CID 60837665
N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251343
N-(4-chloro-2-nitrophenyl)-2-ethoxyacetamide
CID 60719107
N-(4-chloro-2-nitrophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433855
[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-[(1R)-1-(4-propan-2-ylphenyl)ethyl]azanium
CID 9262403
N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898566
N-(4-chloro-2-nitrophenyl)-2-oxobutanamide
CID 54214320
N-[(4-chloro-2-nitrophenyl)carbamothioyl]-3-methylbutanamide
CID 4948454
2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide
CID 8841188
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969518
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4967870

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide (CID 111108098) is N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide is CC(O)CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide?
The InChIKey is DVLLKTJHLQIDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4/c1-9(2)17(7-10(3)19)8-14(20)16-12-5-4-11(15)6-13(12)18(21)22/h4-6,9-10,19H,7-8H2,1-3H3,(H,16,20).
What are the key properties of N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide?
N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide has a molecular weight of 329.78 g/mol, XLogP of 2.28, 7 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-[2-hydroxypropyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 111108098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).