N-butyl-2-(phenylcarbamoylamino)benzamide

C18H21N3O2 — CID 19629104

IUPACN-butyl-2-(phenylcarbamoylamino)benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-2-3-13-19-17(22)15-11-7-8-12-16(15)21-18(23)20-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyCJGLQLWDPLPDCS-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.86
Rot. Bonds6

About N-butyl-2-(phenylcarbamoylamino)benzamide

N-butyl-2-(phenylcarbamoylamino)benzamide (PubChem CID 19629104) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-butyl-2-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-butyl-2-(phenylcarbamoylamino)benzamide
PubChem CID19629104
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-butyl-2-(phenylcarbamoylamino)benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-2-3-13-19-17(22)15-11-7-8-12-16(15)21-18(23)20-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyCJGLQLWDPLPDCS-UHFFFAOYSA-N
XLogP3.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
N-butyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 46585555
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
CID 139926551
2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide
CID 166747501
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
methyl 3-[2-(butylcarbamoyl)anilino]-3-oxopropanoate
CID 28638069
2-(benzylamino)-N-butylbenzamide
CID 86102037
N-butyl-2-(prop-2-enylamino)benzamide
CID 71540981
2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide
CID 4949332

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-butyl-2-(phenylcarbamoylamino)benzamide (CID 19629104) is N-butyl-2-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-butyl-2-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-butyl-2-(phenylcarbamoylamino)benzamide is CCCCNC(=O)c1ccccc1NC(=O)Nc1ccccc1.
What is the InChIKey of N-butyl-2-(phenylcarbamoylamino)benzamide?
The InChIKey is CJGLQLWDPLPDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-3-13-19-17(22)15-11-7-8-12-16(15)21-18(23)20-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-butyl-2-(phenylcarbamoylamino)benzamide?
N-butyl-2-(phenylcarbamoylamino)benzamide has a molecular weight of 311.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 19629104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).