N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide

C16H16FN3O2 — CID 94062816

IUPACN-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
SMILESC[C@@H](NC(=O)c1ccccc1F)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H16FN3O2/c1-10(11-6-8-12(9-7-11)20-16(18)22)19-15(21)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,19,21)(H3,18,20,22)/t10-/m1/s1
InChIKeyACSFJZBZWHZFGQ-SNVBAGLBSA-N
MW301.32 g/mol
LogP2.81
Rot. Bonds4

About N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide

N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide (PubChem CID 94062816) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
PubChem CID94062816
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
SMILESC[C@@H](NC(=O)c1ccccc1F)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H16FN3O2/c1-10(11-6-8-12(9-7-11)20-16(18)22)19-15(21)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,19,21)(H3,18,20,22)/t10-/m1/s1
InChIKeyACSFJZBZWHZFGQ-SNVBAGLBSA-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

2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
[4-[1-(2-fluoroanilino)ethyl]phenyl]urea
CID 43763368
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide
CID 47034204
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55963207
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 47034214
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide
CID 106852997
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide (CID 94062816) is N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide is C[C@@H](NC(=O)c1ccccc1F)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide?
The InChIKey is ACSFJZBZWHZFGQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-10(11-6-8-12(9-7-11)20-16(18)22)19-15(21)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,19,21)(H3,18,20,22)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide?
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide 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 N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 94062816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).