3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide

C17H18FN3O2 — CID 17473263

IUPAC3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide
SMILESO=C(CCNC(=O)NCc1ccccc1)Nc1ccccc1F
InChIInChI=1S/C17H18FN3O2/c18-14-8-4-5-9-15(14)21-16(22)10-11-19-17(23)20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22)(H2,19,20,23)
InChIKeyWQDHUYSFCHSSIY-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.65
Rot. Bonds6

About 3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide

3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide (PubChem CID 17473263) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide
PubChem CID17473263
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide
SMILESO=C(CCNC(=O)NCc1ccccc1)Nc1ccccc1F
InChIInChI=1S/C17H18FN3O2/c18-14-8-4-5-9-15(14)21-16(22)10-11-19-17(23)20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22)(H2,19,20,23)
InChIKeyWQDHUYSFCHSSIY-UHFFFAOYSA-N
XLogP2.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide
CID 109021863
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
N-(2-fluorophenyl)butanamide
CID 849021
N'-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947828
N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide
CID 133279513
2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide
CID 3386370
N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
CID 109021705
N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
CID 91820804
N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 1182077
(2R)-2-bromo-N-[3-(2-fluoroanilino)-3-oxopropyl]pentanamide
CID 26584951
N'-(2-fluorophenyl)propanediamide
CID 70002209
3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide
CID 109037500

Frequently Asked Questions

What is the IUPAC name of 3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide (CID 17473263) is 3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide is O=C(CCNC(=O)NCc1ccccc1)Nc1ccccc1F.
What is the InChIKey of 3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide?
The InChIKey is WQDHUYSFCHSSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-8-4-5-9-15(14)21-16(22)10-11-19-17(23)20-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22)(H2,19,20,23).
What are the key properties of 3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide?
3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide has a molecular weight of 315.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 17473263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).