N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide

C16H14Cl2N4O4 — CID 31680461

IUPACN-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14Cl2N4O4/c1-21(9-15(23)19-11-5-6-13(17)14(18)8-11)16(24)20-10-3-2-4-12(7-10)22(25)26/h2-8H,9H2,1H3,(H,19,23)(H,20,24)
InChIKeyKDEGHQDWVOEGLR-UHFFFAOYSA-N
MW397.22 g/mol
LogP4.00
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide

N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide (PubChem CID 31680461) has the molecular formula C16H14Cl2N4O4 and a molecular weight of 397.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide
PubChem CID31680461
Molecular FormulaC16H14Cl2N4O4
Molecular Weight397.22 g/mol
Exact Mass396.04
IUPAC NameN-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H14Cl2N4O4/c1-21(9-15(23)19-11-5-6-13(17)14(18)8-11)16(24)20-10-3-2-4-12(7-10)22(25)26/h2-8H,9H2,1H3,(H,19,23)(H,20,24)
InChIKeyKDEGHQDWVOEGLR-UHFFFAOYSA-N
XLogP4.00
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]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-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 39093599
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 7718955
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
1-(3,4-dichlorophenyl)-3-(3-nitrophenyl)thiourea
CID 2200080
N-(3,4-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126274559
1-[(2-chlorophenyl)methyl]-1-methyl-3-(3-nitrophenyl)urea
CID 27868402
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-nitrobenzamide
CID 31182781
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(3-nitroanilino)acetamide
CID 9345745
N-(3-chloro-4-fluorophenyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]acetamide
CID 46563808
2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
CID 99818120
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3-nitrophenyl)urea
CID 64512305

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide (CID 31680461) is N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide?
The InChIKey is KDEGHQDWVOEGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O4/c1-21(9-15(23)19-11-5-6-13(17)14(18)8-11)16(24)20-10-3-2-4-12(7-10)22(25)26/h2-8H,9H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide?
N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide has a molecular weight of 397.22 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide is sourced from PubChem (CID 31680461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).