2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide

C11H12Cl2N2O2 — CID 43146433

IUPAC2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2/c1-6-3-4-9(8(13)5-6)14-11(17)15-10(16)7(2)12/h3-5,7H,1-2H3,(H2,14,15,16,17)
InChIKeyRUJGLRHOWWOZFD-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.92
Rot. Bonds2

About 2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide

2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide (PubChem CID 43146433) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.14 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide
PubChem CID43146433
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.14 g/mol
Exact Mass274.03
IUPAC Name2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2/c1-6-3-4-9(8(13)5-6)14-11(17)15-10(16)7(2)12/h3-5,7H,1-2H3,(H2,14,15,16,17)
InChIKeyRUJGLRHOWWOZFD-UHFFFAOYSA-N
XLogP2.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.92
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

(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
CID 119262651
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
(2S)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967933
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967931
1-(2-chloro-4-methylphenyl)-3-ethylurea
CID 21161481
3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide
CID 62670664
2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
CID 43146314
2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636895
N-(2-chloro-4-methylphenyl)-2-methylpentanamide
CID 67710308
1-(2-chloro-4-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51074651

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide (CID 43146433) is 2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide is Cc1ccc(NC(=O)NC(=O)C(C)Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide?
The InChIKey is RUJGLRHOWWOZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-6-3-4-9(8(13)5-6)14-11(17)15-10(16)7(2)12/h3-5,7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide?
2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide has a molecular weight of 275.14 g/mol, XLogP of 2.92, 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-chloro-4-methylphenyl)carbamoyl]propanamide is sourced from PubChem (CID 43146433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).