ethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate

C21H24ClNO3 — CID 11417458

IUPACethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate
SMILESCCOC(=O)CCC(C)Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClNO3/c1-3-26-20(24)13-4-15(2)14-16-5-11-19(12-6-16)23-21(25)17-7-9-18(22)10-8-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyQOTBIVHHRXOKIY-UHFFFAOYSA-N
MW373.88 g/mol
LogP5.11
Rot. Bonds8

About ethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate

ethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate (PubChem CID 11417458) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is ethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate
PubChem CID11417458
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Nameethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate
SMILESCCOC(=O)CCC(C)Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClNO3/c1-3-26-20(24)13-4-15(2)14-16-5-11-19(12-6-16)23-21(25)17-7-9-18(22)10-8-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyQOTBIVHHRXOKIY-UHFFFAOYSA-N
XLogP5.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-[[4-[(4-methylbenzoyl)amino]benzoyl]amino]pentanedioate
CID 3495215
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
ethyl 4-bromo-5-(4-chlorophenyl)-5-oxopentanoate
CID 18671703
N-(4-chlorophenyl)-4-(iodomethyl)benzamide
CID 147537522
ethyl 2-[(4-chlorobenzoyl)amino]-5-[(4-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17061630
ethyl 3-[[(4S)-5-(4-chlorophenyl)-4-methyl-2-oxopentyl]amino]-3-oxopropanoate
CID 162242114
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663936
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
ethyl 4-[4-[(4-chlorobenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984401
ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
CID 13021625
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate?
The IUPAC name of ethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate (CID 11417458) is ethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate.
What is the SMILES notation for ethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate?
The canonical SMILES for ethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate is CCOC(=O)CCC(C)Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate?
The InChIKey is QOTBIVHHRXOKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-3-26-20(24)13-4-15(2)14-16-5-11-19(12-6-16)23-21(25)17-7-9-18(22)10-8-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25).
What are the key properties of ethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate?
ethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate has a molecular weight of 373.88 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methylpentanoate is sourced from PubChem (CID 11417458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).