2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide

C12H15ClN2O2 — CID 61103967

IUPAC2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
SMILESCCN(C(=O)NC(=O)CCl)c1cccc(C)c1
InChIInChI=1S/C12H15ClN2O2/c1-3-15(12(17)14-11(16)8-13)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H,14,16,17)
InChIKeyHAJHPNAWKRQDCH-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.30
Rot. Bonds3

About 2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide

2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide (PubChem CID 61103967) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
PubChem CID61103967
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
SMILESCCN(C(=O)NC(=O)CCl)c1cccc(C)c1
InChIInChI=1S/C12H15ClN2O2/c1-3-15(12(17)14-11(16)8-13)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H,14,16,17)
InChIKeyHAJHPNAWKRQDCH-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.30
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

5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61102427
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108895597
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
CID 108988156
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
1-ethyl-1-(3-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899788
3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide
CID 43146327
3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea
CID 112974053
3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108899566
3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108992795
2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61208845

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide (CID 61103967) is 2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide is CCN(C(=O)NC(=O)CCl)c1cccc(C)c1.
What is the InChIKey of 2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide?
The InChIKey is HAJHPNAWKRQDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-3-15(12(17)14-11(16)8-13)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H,14,16,17).
What are the key properties of 2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide?
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide has a molecular weight of 254.72 g/mol, XLogP of 2.30, 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-(3-methylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 61103967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).