amino-[(3-chlorophenyl)carbamoyl]carbamic acid

C8H8ClN3O3 — CID 69123745

IUPACamino-[(3-chlorophenyl)carbamoyl]carbamic acid
SMILESNN(C(=O)O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C8H8ClN3O3/c9-5-2-1-3-6(4-5)11-7(13)12(10)8(14)15/h1-4H,10H2,(H,11,13)(H,14,15)
InChIKeyFSMJCNDUYHEGJP-UHFFFAOYSA-N
MW229.62 g/mol
LogP1.73
Rot. Bonds1

About amino-[(3-chlorophenyl)carbamoyl]carbamic acid

amino-[(3-chlorophenyl)carbamoyl]carbamic acid (PubChem CID 69123745) has the molecular formula C8H8ClN3O3 and a molecular weight of 229.62 g/mol. Its IUPAC name is amino-[(3-chlorophenyl)carbamoyl]carbamic acid.

Molecular Properties

Compound Nameamino-[(3-chlorophenyl)carbamoyl]carbamic acid
PubChem CID69123745
Molecular FormulaC8H8ClN3O3
Molecular Weight229.62 g/mol
Exact Mass229.03
IUPAC Nameamino-[(3-chlorophenyl)carbamoyl]carbamic acid
SMILESNN(C(=O)O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C8H8ClN3O3/c9-5-2-1-3-6(4-5)11-7(13)12(10)8(14)15/h1-4H,10H2,(H,11,13)(H,14,15)
InChIKeyFSMJCNDUYHEGJP-UHFFFAOYSA-N
XLogP1.73
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea
CID 107465973
1,1-bis[(2S)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 40636276
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
(E)-but-2-enedioic acid;(3-chlorophenyl)carbamic acid
CID 162332923
methyl N-(3-chlorophenyl)carbamate
CID 16529
3-(3-chlorophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 27871674
2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258723
(3-chlorophenyl)carbamoyliminocarbamic acid
CID 69123741
(3-chlorophenyl)thiourea
CID 2734794
N-[4-[(3-chlorophenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57262089
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501

Frequently Asked Questions

What is the IUPAC name of amino-[(3-chlorophenyl)carbamoyl]carbamic acid?
The IUPAC name of amino-[(3-chlorophenyl)carbamoyl]carbamic acid (CID 69123745) is amino-[(3-chlorophenyl)carbamoyl]carbamic acid.
What is the SMILES notation for amino-[(3-chlorophenyl)carbamoyl]carbamic acid?
The canonical SMILES for amino-[(3-chlorophenyl)carbamoyl]carbamic acid is NN(C(=O)O)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of amino-[(3-chlorophenyl)carbamoyl]carbamic acid?
The InChIKey is FSMJCNDUYHEGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3/c9-5-2-1-3-6(4-5)11-7(13)12(10)8(14)15/h1-4H,10H2,(H,11,13)(H,14,15).
What are the key properties of amino-[(3-chlorophenyl)carbamoyl]carbamic acid?
amino-[(3-chlorophenyl)carbamoyl]carbamic acid has a molecular weight of 229.62 g/mol, XLogP of 1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[(3-chlorophenyl)carbamoyl]carbamic acid is sourced from PubChem (CID 69123745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).