1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea

C19H16ClN3O2 — CID 1012378

IUPAC1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H16ClN3O2/c20-15-10-8-13(9-11-15)12-18(24)22-23-19(25)21-17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,12H2,(H,22,24)(H2,21,23,25)
InChIKeyAZYXKCMLQANZFV-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.89
Rot. Bonds3

About 1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea

1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea (PubChem CID 1012378) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea
PubChem CID1012378
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H16ClN3O2/c20-15-10-8-13(9-11-15)12-18(24)22-23-19(25)21-17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,12H2,(H,22,24)(H2,21,23,25)
InChIKeyAZYXKCMLQANZFV-UHFFFAOYSA-N
XLogP3.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea
CID 915861
N-(4-chlorophenyl)-2-[2-(1-naphthyl)acetyl]-1-hydrazinecarboxamide
CID 2731999
N-{[(3-chlorophenyl)amino]carbonylamino}-3-phenylpropanamide
CID 5238384
N-{[(3-chloro-2-methylphenyl)amino]carbonylamino}-3-phenylpropanamide
CID 24819047
N-(3-chlorophenyl)-2-(phenylacetyl)hydrazinecarboxamide
CID 841948
N-(3-chlorophenyl)-2-(1-naphthylacetyl)hydrazinecarboxamide
CID 1028288
N-(3-chlorophenyl)-2-[(2-phenylcyclopropyl)carbonyl]hydrazinecarboxamide
CID 2838470
2-[(2-chlorophenyl)acetyl]-N-phenylhydrazinecarboxamide
CID 849676
N-(4-chlorophenyl)-2-(3-phenylpropanoyl)hydrazinecarboxamide
CID 779720
4-chloro-N-(naphthalen-1-yl)benzamide
CID 532197
1-Naphthalen-1-yl-3-[[5-[2-(naphthalen-1-ylcarbamoyl)hydrazinyl]-5-oxopentanoyl]amino]urea
CID 267271
5-amino-N-naphthalen-1-yl-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide
CID 102436304

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea (CID 1012378) is 1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea is O=C(Cc1ccc(Cl)cc1)NNC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea?
The InChIKey is AZYXKCMLQANZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-15-10-8-13(9-11-15)12-18(24)22-23-19(25)21-17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,12H2,(H,22,24)(H2,21,23,25).
What are the key properties of 1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea?
1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea has a molecular weight of 353.81 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)acetyl]amino]-3-naphthalen-1-ylurea is sourced from PubChem (CID 1012378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).