N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide

C18H18ClN3O3 — CID 112999737

IUPACN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-12(23)21-15-6-8-16(9-7-15)22-18(25)11-20-17(24)10-13-2-4-14(19)5-3-13/h2-9H,10-11H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyNRNBFKBYORUBLC-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.60
Rot. Bonds6

About N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide

N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 112999737) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
PubChem CID112999737
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-12(23)21-15-6-8-16(9-7-15)22-18(25)11-20-17(24)10-13-2-4-14(19)5-3-13/h2-9H,10-11H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyNRNBFKBYORUBLC-UHFFFAOYSA-N
XLogP2.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
2-(4-chlorophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996792
2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide
CID 113001347
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301966
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
CID 47109152
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
tert-butyl N-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917028
2-(4-acetamidophenyl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9481055
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113061827

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide (CID 112999737) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide is CC(=O)Nc1ccc(NC(=O)CNC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is NRNBFKBYORUBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-12(23)21-15-6-8-16(9-7-15)22-18(25)11-20-17(24)10-13-2-4-14(19)5-3-13/h2-9H,10-11H2,1H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 359.81 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 112999737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).