N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide

C18H17ClN2O3 — CID 17370124

IUPACN-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C18H17ClN2O3/c1-3-16(22)21-15-7-5-4-6-13(15)17(23)18(24)20-12-9-8-11(2)14(19)10-12/h4-10H,3H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyRLINAFZNXCKQLD-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.82
Rot. Bonds5

About N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide

N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide (PubChem CID 17370124) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide
PubChem CID17370124
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C18H17ClN2O3/c1-3-16(22)21-15-7-5-4-6-13(15)17(23)18(24)20-12-9-8-11(2)14(19)10-12/h4-10H,3H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyRLINAFZNXCKQLD-UHFFFAOYSA-N
XLogP3.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-anilino-2-oxoacetyl)phenyl]propanamide
CID 2195525
N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide
CID 108954873
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671109
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
2-[[2-(5-chloro-4-methyl-2-propanoylanilino)acetyl]amino]benzoic acid
CID 25025738
N-(3-chloro-4-methylphenyl)-N'-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 171979042
3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037798
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844937
ethyl 2-[[2-(3-chloro-4-methoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501132
N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631406
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide?
The IUPAC name of N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide (CID 17370124) is N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide.
What is the SMILES notation for N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide?
The canonical SMILES for N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide is CCC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide?
The InChIKey is RLINAFZNXCKQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-3-16(22)21-15-7-5-4-6-13(15)17(23)18(24)20-12-9-8-11(2)14(19)10-12/h4-10H,3H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide?
N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide has a molecular weight of 344.80 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide is sourced from PubChem (CID 17370124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).