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

C13H17ClN2O2 — CID 62002328

IUPAC2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide
SMILESCCN(C(=O)NC(=O)C(C)Cl)c1ccc(C)cc1
InChIInChI=1S/C13H17ClN2O2/c1-4-16(11-7-5-9(2)6-8-11)13(18)15-12(17)10(3)14/h5-8,10H,4H2,1-3H3,(H,15,17,18)
InChIKeyCPLSZFQMIXWBKZ-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.68
Rot. Bonds3

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

2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide (PubChem CID 62002328) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide
PubChem CID62002328
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide
SMILESCCN(C(=O)NC(=O)C(C)Cl)c1ccc(C)cc1
InChIInChI=1S/C13H17ClN2O2/c1-4-16(11-7-5-9(2)6-8-11)13(18)15-12(17)10(3)14/h5-8,10H,4H2,1-3H3,(H,15,17,18)
InChIKeyCPLSZFQMIXWBKZ-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.68
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

N-ethyl-2-methyl-N-(4-methylphenyl)propanamide
CID 60737044
(2R)-2-amino-N-ethyl-N-(4-methylphenyl)propanamide
CID 78979225
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide
CID 107027712
(2S)-4-amino-2-[[ethyl-(4-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717562
2-cyano-N-ethyl-N-(4-methylphenyl)propanamide
CID 55207914
3-bromo-N-ethyl-N-(4-methylphenyl)prop-2-ynamide
CID 130707368
4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide
CID 80543945
2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 62003076
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
3-chloro-1-ethyl-1-(4-fluorophenyl)urea
CID 87646855
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide (CID 62002328) is 2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide is CCN(C(=O)NC(=O)C(C)Cl)c1ccc(C)cc1.
What is the InChIKey of 2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide?
The InChIKey is CPLSZFQMIXWBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-4-16(11-7-5-9(2)6-8-11)13(18)15-12(17)10(3)14/h5-8,10H,4H2,1-3H3,(H,15,17,18).
What are the key properties of 2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide?
2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide has a molecular weight of 268.74 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide is sourced from PubChem (CID 62002328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).