2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide

C12H15ClFN3O2 — CID 42906469

IUPAC2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C12H15ClFN3O2/c1-6(2)10(17-12(15)19)11(18)16-9-5-7(13)3-4-8(9)14/h3-6,10H,1-2H3,(H,16,18)(H3,15,17,19)
InChIKeyPAMOAFQLRHDZBD-UHFFFAOYSA-N
MW287.72 g/mol
LogP2.11
Rot. Bonds4

About 2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide

2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide (PubChem CID 42906469) has the molecular formula C12H15ClFN3O2 and a molecular weight of 287.72 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide
PubChem CID42906469
Molecular FormulaC12H15ClFN3O2
Molecular Weight287.72 g/mol
Exact Mass287.08
IUPAC Name2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C12H15ClFN3O2/c1-6(2)10(17-12(15)19)11(18)16-9-5-7(13)3-4-8(9)14/h3-6,10H,1-2H3,(H,16,18)(H3,15,17,19)
InChIKeyPAMOAFQLRHDZBD-UHFFFAOYSA-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

(2R)-2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanamide
CID 97261258
(2S)-2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 2426812
N-[(2S)-1-(5-chloro-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 8928056
(2S)-2-(carbamoylamino)-N-(3,4-difluorophenyl)-3-methylbutanamide
CID 9210236
2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide
CID 44519506
2-[(2-acetamido-3-methylbutanoyl)amino]-4-chlorobenzoic acid
CID 43354284
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55335505
N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166070249
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573235
3-[(5-chloro-2-fluorophenyl)carbamoylamino]butanoic acid
CID 61199394
6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide
CID 65292812
(2R)-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009986

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide (CID 42906469) is 2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide is CC(C)C(NC(N)=O)C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of 2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide?
The InChIKey is PAMOAFQLRHDZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3O2/c1-6(2)10(17-12(15)19)11(18)16-9-5-7(13)3-4-8(9)14/h3-6,10H,1-2H3,(H,16,18)(H3,15,17,19).
What are the key properties of 2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide?
2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-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 2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 42906469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).