2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide

C12H15ClN2O2 — CID 43146320

IUPAC2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide
SMILESCc1cccc(C)c1NC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C12H15ClN2O2/c1-7-5-4-6-8(2)10(7)14-12(17)15-11(16)9(3)13/h4-6,9H,1-3H3,(H2,14,15,16,17)
InChIKeyNHNVOYMBTLVQFZ-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.58
Rot. Bonds2

About 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide

2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide (PubChem CID 43146320) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide
PubChem CID43146320
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide
SMILESCc1cccc(C)c1NC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C12H15ClN2O2/c1-7-5-4-6-8(2)10(7)14-12(17)15-11(16)9(3)13/h4-6,9H,1-3H3,(H2,14,15,16,17)
InChIKeyNHNVOYMBTLVQFZ-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide
CID 110190796
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
CID 93258112
2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide
CID 43328847
2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
CID 43146314
2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 61190244
(2S)-2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 28508457
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride
CID 53351559
N-[(2,6-dimethylphenyl)carbamothioyl]-2-methylpropanamide
CID 4928043
2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146331

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide (CID 43146320) is 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide is Cc1cccc(C)c1NC(=O)NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide?
The InChIKey is NHNVOYMBTLVQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7-5-4-6-8(2)10(7)14-12(17)15-11(16)9(3)13/h4-6,9H,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide?
2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide has a molecular weight of 254.72 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide is sourced from PubChem (CID 43146320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).