4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide

C16H16FN3O2 — CID 2454749

IUPAC4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c1-10(11-2-6-13(17)7-3-11)19-15(21)12-4-8-14(9-5-12)20-16(18)22/h2-10H,1H3,(H,19,21)(H3,18,20,22)/t10-/m0/s1
InChIKeyDJKURNHVDGNDDU-JTQLQIEISA-N
MW301.32 g/mol
LogP2.81
Rot. Bonds4

About 4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide

4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 2454749) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID2454749
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c1-10(11-2-6-13(17)7-3-11)19-15(21)12-4-8-14(9-5-12)20-16(18)22/h2-10H,1H3,(H,19,21)(H3,18,20,22)/t10-/m0/s1
InChIKeyDJKURNHVDGNDDU-JTQLQIEISA-N
XLogP2.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide
CID 47034204
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide
CID 175156198
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-(carbamoylamino)benzoate
CID 46792999
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide
CID 87045343
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719
N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 55962435

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide (CID 2454749) is 4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is DJKURNHVDGNDDU-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-10(11-2-6-13(17)7-3-11)19-15(21)12-4-8-14(9-5-12)20-16(18)22/h2-10H,1H3,(H,19,21)(H3,18,20,22)/t10-/m0/s1.
What are the key properties of 4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 301.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 2454749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).