N-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide

C20H23ClN2O2 — CID 100620681

IUPACN-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)Nc1cc(-c2ccccc2)ccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-14(2)8-11-19(24)22-13-20(25)23-18-12-16(9-10-17(18)21)15-6-4-3-5-7-15/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZZAHMVHTJVVJIP-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.50
Rot. Bonds7

About N-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide

N-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide (PubChem CID 100620681) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide
PubChem CID100620681
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC(=O)Nc1cc(-c2ccccc2)ccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-14(2)8-11-19(24)22-13-20(25)23-18-12-16(9-10-17(18)21)15-6-4-3-5-7-15/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZZAHMVHTJVVJIP-UHFFFAOYSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-chloro-5-phenylphenyl)carbamoylamino]ethyl]acetamide
CID 122144264
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide
CID 113000076
methyl 3-[[2-(butanoylamino)acetyl]amino]-4-chlorobenzoate
CID 112999994
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-phenylanilino)acetamide
CID 71943793
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119683791
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
N-(2,5-dichlorophenyl)-2-(2-methylpropylamino)acetamide
CID 108993299
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide
CID 55131668
N-(2-chloro-5-nitrophenyl)-2-(4-phenylphenyl)acetamide
CID 92556751
N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119420848

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide?
The IUPAC name of N-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide (CID 100620681) is N-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide is CC(C)CCC(=O)NCC(=O)Nc1cc(-c2ccccc2)ccc1Cl.
What is the InChIKey of N-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide?
The InChIKey is ZZAHMVHTJVVJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14(2)8-11-19(24)22-13-20(25)23-18-12-16(9-10-17(18)21)15-6-4-3-5-7-15/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide?
N-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide has a molecular weight of 358.87 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-phenylanilino)-2-oxoethyl]-4-methylpentanamide is sourced from PubChem (CID 100620681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).