methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate

C18H17ClN2O4 — CID 7741241

IUPACmethyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2O4/c1-25-18(24)13-4-8-15(9-5-13)21-16(22)10-11-20-17(23)12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyKQTGAEFDSVZULK-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.89
Rot. Bonds6

About methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate

methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate (PubChem CID 7741241) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate
PubChem CID7741241
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Namemethyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2O4/c1-25-18(24)13-4-8-15(9-5-13)21-16(22)10-11-20-17(23)12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyKQTGAEFDSVZULK-UHFFFAOYSA-N
XLogP2.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide
CID 9153985
methyl 4-[3-[(4-chlorophenyl)methylamino]propanoylamino]benzoate
CID 109021898
4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
CID 7934807
methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate
CID 108802931
methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
CID 26688492
4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide
CID 123537340
methyl 4-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 9083102
N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063265
ethyl 4-(3-benzamidopropanoylamino)benzoate
CID 8885472
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate?
The IUPAC name of methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate (CID 7741241) is methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate.
What is the SMILES notation for methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate?
The canonical SMILES for methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate is COC(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate?
The InChIKey is KQTGAEFDSVZULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-25-18(24)13-4-8-15(9-5-13)21-16(22)10-11-20-17(23)12-2-6-14(19)7-3-12/h2-9H,10-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate?
methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate has a molecular weight of 360.80 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate is sourced from PubChem (CID 7741241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).