1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea

C19H16ClN3O2 — CID 22302796

IUPAC1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea
SMILESNC(=O)N(NC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-10-16(11-9-15)23(19(21)25)22-18(24)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H2,21,25)(H,22,24)
InChIKeyOSZYRRMWLQFUQE-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.65
Rot. Bonds3

About 1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea

1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea (PubChem CID 22302796) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea
PubChem CID22302796
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea
SMILESNC(=O)N(NC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-10-16(11-9-15)23(19(21)25)22-18(24)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H2,21,25)(H,22,24)
InChIKeyOSZYRRMWLQFUQE-UHFFFAOYSA-N
XLogP3.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833
4-chloro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 3396166
1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea
CID 22299122
1-(4-chlorophenyl)-1-[(2-phenothiazin-10-ylacetyl)amino]urea
CID 22302184
(3S)-4-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 53341147
N-carbamothioyl-2-naphthalen-1-ylacetamide
CID 150600565
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
(3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 1266491
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 3633508
(4-chlorophenyl)methyl 2-naphthalen-1-ylacetate
CID 165364396
N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46580634
N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 4575001

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea (CID 22302796) is 1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea is NC(=O)N(NC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea?
The InChIKey is OSZYRRMWLQFUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-15-8-10-16(11-9-15)23(19(21)25)22-18(24)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H2,21,25)(H,22,24).
What are the key properties of 1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea?
1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea has a molecular weight of 353.81 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-[(2-naphthalen-1-ylacetyl)amino]urea is sourced from PubChem (CID 22302796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).