[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid

C9H8Cl2N2O3 — CID 146586124

IUPAC[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid
SMILESO=C(O)NNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)4-8(14)12-13-9(15)16/h1-3,13H,4H2,(H,12,14)(H,15,16)
InChIKeyFROZCNBHGCXHDY-UHFFFAOYSA-N
MW263.08 g/mol
LogP1.83
Rot. Bonds2

About [[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid

[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid (PubChem CID 146586124) has the molecular formula C9H8Cl2N2O3 and a molecular weight of 263.08 g/mol. Its IUPAC name is [[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid.

Molecular Properties

Compound Name[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid
PubChem CID146586124
Molecular FormulaC9H8Cl2N2O3
Molecular Weight263.08 g/mol
Exact Mass261.99
IUPAC Name[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid
SMILESO=C(O)NNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)4-8(14)12-13-9(15)16/h1-3,13H,4H2,(H,12,14)(H,15,16)
InChIKeyFROZCNBHGCXHDY-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid 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-chloro-N'-[2-(3,4-dichlorophenyl)acetyl]benzohydrazide
CID 2117207
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 61261366
2-(3,4-dichlorophenyl)-N-phenylmethoxyacetamide
CID 8908973
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996675
N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114310214
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821775
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide
CID 47140929
2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 2434922

Frequently Asked Questions

What is the IUPAC name of [[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid?
The IUPAC name of [[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid (CID 146586124) is [[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid.
What is the SMILES notation for [[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid?
The canonical SMILES for [[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid is O=C(O)NNC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid?
The InChIKey is FROZCNBHGCXHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)4-8(14)12-13-9(15)16/h1-3,13H,4H2,(H,12,14)(H,15,16).
What are the key properties of [[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid?
[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid has a molecular weight of 263.08 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid is sourced from PubChem (CID 146586124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).