4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide

C16H16FN3O2 — CID 32736130

IUPAC4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
SMILESC[C@@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H16FN3O2/c1-10(19-13-8-4-12(17)5-9-13)16(22)20-14-6-2-11(3-7-14)15(18)21/h2-10,19H,1H3,(H2,18,21)(H,20,22)/t10-/m1/s1
InChIKeyDDCXNIZNSQWNSI-SNVBAGLBSA-N
MW301.32 g/mol
LogP2.36
Rot. Bonds5

About 4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide

4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide (PubChem CID 32736130) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
PubChem CID32736130
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
SMILESC[C@@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H16FN3O2/c1-10(19-13-8-4-12(17)5-9-13)16(22)20-14-6-2-11(3-7-14)15(18)21/h2-10,19H,1H3,(H2,18,21)(H,20,22)/t10-/m1/s1
InChIKeyDDCXNIZNSQWNSI-SNVBAGLBSA-N
XLogP2.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-phenylanilino)propanoylamino]benzamide
CID 78667343
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide
CID 41190635
4-[2-[4-(2,2,2-trifluoroethoxy)anilino]propanoylamino]benzamide
CID 42887485
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
4-[2-(3-acetylanilino)propanoylamino]benzamide
CID 46667199
4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
CID 9255043
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide
CID 47005812

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide?
The IUPAC name of 4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide (CID 32736130) is 4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide is C[C@@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide?
The InChIKey is DDCXNIZNSQWNSI-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-10(19-13-8-4-12(17)5-9-13)16(22)20-14-6-2-11(3-7-14)15(18)21/h2-10,19H,1H3,(H2,18,21)(H,20,22)/t10-/m1/s1.
What are the key properties of 4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide?
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide has a molecular weight of 301.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide is sourced from PubChem (CID 32736130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).