4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide

C20H16ClN3O3 — CID 101082700

IUPAC4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide
SMILESO=C(Cc1ccc2ccccc2c1)NNC(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O3/c21-17-9-7-15(8-10-17)19(26)22-20(27)24-23-18(25)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-11H,12H2,(H,23,25)(H2,22,24,26,27)
InChIKeyHSCARTQRAODGGD-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.21
Rot. Bonds3

About 4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide

4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide (PubChem CID 101082700) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide
PubChem CID101082700
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide
SMILESO=C(Cc1ccc2ccccc2c1)NNC(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O3/c21-17-9-7-15(8-10-17)19(26)22-20(27)24-23-18(25)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-11H,12H2,(H,23,25)(H2,22,24,26,27)
InChIKeyHSCARTQRAODGGD-UHFFFAOYSA-N
XLogP3.21
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea
CID 9469008
1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264
N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
CID 31540991
N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide
CID 31727117
4-chloro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 3396166
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235
N-(2-bromoethyl)-2-naphthalen-2-ylacetamide
CID 43133408
4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide
CID 9256579
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]benzohydrazide
CID 7971635
2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
CID 63528199

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide?
The IUPAC name of 4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide (CID 101082700) is 4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide is O=C(Cc1ccc2ccccc2c1)NNC(=O)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide?
The InChIKey is HSCARTQRAODGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c21-17-9-7-15(8-10-17)19(26)22-20(27)24-23-18(25)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-11H,12H2,(H,23,25)(H2,22,24,26,27).
What are the key properties of 4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide?
4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide has a molecular weight of 381.82 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide is sourced from PubChem (CID 101082700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).