(2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide

C12H15ClFN3O2 — CID 97261258

IUPAC(2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide
SMILESCC(C)[C@@H](NC(=O)Nc1cc(Cl)ccc1F)C(N)=O
InChIInChI=1S/C12H15ClFN3O2/c1-6(2)10(11(15)18)17-12(19)16-9-5-7(13)3-4-8(9)14/h3-6,10H,1-2H3,(H2,15,18)(H2,16,17,19)/t10-/m1/s1
InChIKeySBTQSSUDMDFSOB-SNVBAGLBSA-N
MW287.72 g/mol
LogP2.11
Rot. Bonds4

About (2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide

(2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide (PubChem CID 97261258) has the molecular formula C12H15ClFN3O2 and a molecular weight of 287.72 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide
PubChem CID97261258
Molecular FormulaC12H15ClFN3O2
Molecular Weight287.72 g/mol
Exact Mass287.08
IUPAC Name(2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide
SMILESCC(C)[C@@H](NC(=O)Nc1cc(Cl)ccc1F)C(N)=O
InChIInChI=1S/C12H15ClFN3O2/c1-6(2)10(11(15)18)17-12(19)16-9-5-7(13)3-4-8(9)14/h3-6,10H,1-2H3,(H2,15,18)(H2,16,17,19)/t10-/m1/s1
InChIKeySBTQSSUDMDFSOB-SNVBAGLBSA-N
XLogP2.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide
CID 42906469
(2S)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 61198642
(2R)-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009986
3-[(5-chloro-2-fluorophenyl)carbamoylamino]butanoic acid
CID 61199394
N-[(2S)-1-(5-chloro-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 8928056
(2S)-2-[(2,5-dichlorophenyl)methylcarbamoylamino]-3-methylbutanamide
CID 122563064
(2S)-2-[(5-chloro-2-cyanophenyl)carbamoylamino]-3-methylbutanoic acid
CID 64918726
(2S)-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 61471009
2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide
CID 44519506
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573235
(2S)-2-[(3,4-difluorophenyl)methylcarbamoylamino]-3-methylbutanamide
CID 119059639
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-5-chlorobenzoic acid
CID 106346700

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide?
The IUPAC name of (2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide (CID 97261258) is (2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide?
The canonical SMILES for (2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide is CC(C)[C@@H](NC(=O)Nc1cc(Cl)ccc1F)C(N)=O.
What is the InChIKey of (2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide?
The InChIKey is SBTQSSUDMDFSOB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15ClFN3O2/c1-6(2)10(11(15)18)17-12(19)16-9-5-7(13)3-4-8(9)14/h3-6,10H,1-2H3,(H2,15,18)(H2,16,17,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide?
(2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide has a molecular weight of 287.72 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide is sourced from PubChem (CID 97261258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).