(3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide

C17H18FN3O2 — CID 41172294

IUPAC(3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(F)c(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)c1
InChIInChI=1S/C17H18FN3O2/c1-11-7-8-13(18)15(9-11)20-16(22)10-14(21-17(19)23)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H,20,22)(H3,19,21,23)/t14-/m1/s1
InChIKeyNHVRVTFNTQAIRV-CQSZACIVSA-N
MW315.35 g/mol
LogP2.87
Rot. Bonds5

About (3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide

(3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide (PubChem CID 41172294) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide
PubChem CID41172294
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(F)c(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)c1
InChIInChI=1S/C17H18FN3O2/c1-11-7-8-13(18)15(9-11)20-16(22)10-14(21-17(19)23)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H,20,22)(H3,19,21,23)/t14-/m1/s1
InChIKeyNHVRVTFNTQAIRV-CQSZACIVSA-N
XLogP2.87
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide
CID 26082762
3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 43114261
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 9480001
3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 4792198
[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] (3S)-3-(carbamoylamino)-3-phenylpropanoate
CID 42294435
3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide
CID 24605702
(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
CID 43156189
3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 4792587
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195101
(3S)-3-(carbamoylamino)-N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]-3-phenylpropanamide
CID 32576695
N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 8502250

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide (CID 41172294) is (3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide is Cc1ccc(F)c(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)c1.
What is the InChIKey of (3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide?
The InChIKey is NHVRVTFNTQAIRV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-11-7-8-13(18)15(9-11)20-16(22)10-14(21-17(19)23)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H,20,22)(H3,19,21,23)/t14-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide?
(3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide has a molecular weight of 315.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 41172294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).