1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea

C19H16ClN3O2 — CID 1028288

IUPAC1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-4-9-16(12-15)21-19(25)23-22-18(24)11-14-7-3-6-13-5-1-2-10-17(13)14/h1-10,12H,11H2,(H,22,24)(H2,21,23,25)
InChIKeyTYOWAGYZQSHKLQ-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.89
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea

1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea (PubChem CID 1028288) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea
PubChem CID1028288
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-4-9-16(12-15)21-19(25)23-22-18(24)11-14-7-3-6-13-5-1-2-10-17(13)14/h1-10,12H,11H2,(H,22,24)(H2,21,23,25)
InChIKeyTYOWAGYZQSHKLQ-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

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-(3,4-dichlorophenyl)-2-(phenylacetyl)hydrazinecarboxamide
CID 1581164
N-(3-chlorophenyl)-2-[(2-phenylcyclopropyl)carbonyl]hydrazinecarboxamide
CID 2838470
N-(4-fluorophenyl)-2-(naphthalen-2-ylcarbonyl)hydrazinecarboxamide
CID 24818761
1-[[2-(4-Chlorophenyl)-1-oxoethyl]amino]-3-(1-naphthalenyl)urea
CID 1012378
2-[(2-chlorophenyl)acetyl]-N-phenylhydrazinecarboxamide
CID 849676
N-(3-methylphenyl)-2-(naphthalen-2-ylcarbonyl)hydrazinecarboxamide
CID 17283549
N-(2-methylphenyl)-2-(naphthalen-2-ylcarbonyl)hydrazinecarboxamide
CID 24819051
1-Naphthaleneacetic acid, 2-[(phenylamino)thioxomethyl]hydrazide
CID 721808

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea (CID 1028288) is 1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea is O=C(Cc1cccc2ccccc12)NNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea?
The InChIKey is TYOWAGYZQSHKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-15-8-4-9-16(12-15)21-19(25)23-22-18(24)11-14-7-3-6-13-5-1-2-10-17(13)14/h1-10,12H,11H2,(H,22,24)(H2,21,23,25).
What are the key properties of 1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea?
1-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea 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-(3-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]urea is sourced from PubChem (CID 1028288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).