(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide

C11H14FN3O2 — CID 30904982

IUPAC(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)NC(N)=O)cc1F
InChIInChI=1S/C11H14FN3O2/c1-6-3-4-8(5-9(6)12)15-10(16)7(2)14-11(13)17/h3-5,7H,1-2H3,(H,15,16)(H3,13,14,17)/t7-/m0/s1
InChIKeyIAFBGIOZSYTBNH-ZETCQYMHSA-N
MW239.25 g/mol
LogP1.13
Rot. Bonds3

About (2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide

(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 30904982) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID30904982
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)NC(N)=O)cc1F
InChIInChI=1S/C11H14FN3O2/c1-6-3-4-8(5-9(6)12)15-10(16)7(2)14-11(13)17/h3-5,7H,1-2H3,(H,15,16)(H3,13,14,17)/t7-/m0/s1
InChIKeyIAFBGIOZSYTBNH-ZETCQYMHSA-N
XLogP1.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 17396649
2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24537324
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 41260416
(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 32704805
2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 24643360
2-(3-fluoro-4-methylanilino)-N-naphthalen-2-ylpropanamide
CID 78708039
N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide
CID 7585173
(2S)-2-(carbamoylamino)-N-(3,4-difluorophenyl)-3-methylbutanamide
CID 9210236
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 24641052
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 74646045

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide (CID 30904982) is (2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@H](C)NC(N)=O)cc1F.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is IAFBGIOZSYTBNH-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-6-3-4-8(5-9(6)12)15-10(16)7(2)14-11(13)17/h3-5,7H,1-2H3,(H,15,16)(H3,13,14,17)/t7-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide?
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 239.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 30904982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).