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

C13H17ClN2O2 — CID 110190796

IUPAC2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide
SMILESCc1cccc(C)c1NC(=O)N(C)C(=O)C(C)Cl
InChIInChI=1S/C13H17ClN2O2/c1-8-6-5-7-9(2)11(8)15-13(18)16(4)12(17)10(3)14/h5-7,10H,1-4H3,(H,15,18)
InChIKeyNZZFGXBGOFXKIN-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.92
Rot. Bonds2

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

2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide (PubChem CID 110190796) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide
PubChem CID110190796
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide
SMILESCc1cccc(C)c1NC(=O)N(C)C(=O)C(C)Cl
InChIInChI=1S/C13H17ClN2O2/c1-8-6-5-7-9(2)11(8)15-13(18)16(4)12(17)10(3)14/h5-7,10H,1-4H3,(H,15,18)
InChIKeyNZZFGXBGOFXKIN-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.92
H-Bond Donors ≤ 51
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-[(2,6-dimethylphenyl)carbamoyl]propanamide
CID 43146320
3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea
CID 67750256
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea
CID 142476554
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316
1-carbamimidoyl-3-(2-chloro-6-methylphenyl)-1-methylurea
CID 20543686
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
N-[(2,6-dimethylphenyl)carbamoyl]-N-phenylacetamide
CID 24854469
2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 43135784
2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61195133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide?
The IUPAC name of 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide (CID 110190796) is 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide.
What is the SMILES notation for 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide?
The canonical SMILES for 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide is Cc1cccc(C)c1NC(=O)N(C)C(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide?
The InChIKey is NZZFGXBGOFXKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8-6-5-7-9(2)11(8)15-13(18)16(4)12(17)10(3)14/h5-7,10H,1-4H3,(H,15,18).
What are the key properties of 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide?
2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide has a molecular weight of 268.74 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide is sourced from PubChem (CID 110190796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).