2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide

C17H17F2N3O2 — CID 166747501

IUPAC2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H17F2N3O2/c1-2-7-20-16(23)14-5-3-4-6-15(14)22-17(24)21-13-9-11(18)8-12(19)10-13/h3-6,8-10H,2,7H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyWJSBYVWQBIJPDJ-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.75
Rot. Bonds5

About 2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide

2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide (PubChem CID 166747501) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide
PubChem CID166747501
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H17F2N3O2/c1-2-7-20-16(23)14-5-3-4-6-15(14)22-17(24)21-13-9-11(18)8-12(19)10-13/h3-6,8-10H,2,7H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyWJSBYVWQBIJPDJ-UHFFFAOYSA-N
XLogP3.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750781
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
2-[(3,5-difluorophenyl)carbamoylamino]benzoic acid
CID 61189563
N-butyl-2-(phenylcarbamoylamino)benzamide
CID 19629104
2-[(3,5-dibromophenyl)carbamoylamino]-4-fluoro-N-propylbenzamide
CID 156854112
2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854272
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871
2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660374
2-[[(2S)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660375
2-hydrazinyl-N-propylbenzamide
CID 62238054
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide?
The IUPAC name of 2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide (CID 166747501) is 2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide?
The canonical SMILES for 2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide?
The InChIKey is WJSBYVWQBIJPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-2-7-20-16(23)14-5-3-4-6-15(14)22-17(24)21-13-9-11(18)8-12(19)10-13/h3-6,8-10H,2,7H2,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of 2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide?
2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide has a molecular weight of 333.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)carbamoylamino]-N-propylbenzamide is sourced from PubChem (CID 166747501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).