pentyl 3-[(2-chlorobenzoyl)amino]propanoate

C15H20ClNO3 — CID 91716440

IUPACpentyl 3-[(2-chlorobenzoyl)amino]propanoate
SMILESCCCCCOC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H20ClNO3/c1-2-3-6-11-20-14(18)9-10-17-15(19)12-7-4-5-8-13(12)16/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,19)
InChIKeyMMWDKJCCDUDHPZ-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.19
Rot. Bonds8

About pentyl 3-[(2-chlorobenzoyl)amino]propanoate

pentyl 3-[(2-chlorobenzoyl)amino]propanoate (PubChem CID 91716440) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is pentyl 3-[(2-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Namepentyl 3-[(2-chlorobenzoyl)amino]propanoate
PubChem CID91716440
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Namepentyl 3-[(2-chlorobenzoyl)amino]propanoate
SMILESCCCCCOC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H20ClNO3/c1-2-3-6-11-20-14(18)9-10-17-15(19)12-7-4-5-8-13(12)16/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,19)
InChIKeyMMWDKJCCDUDHPZ-UHFFFAOYSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716594
hexyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710225
dodecyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710231
2-chloro-N-undecylbenzamide
CID 3373978
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate
CID 141143852
butyl 4-[(2-hydroxybenzoyl)amino]butanoate
CID 141205227
octadecyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20837400
heptyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20836974
undecyl 3-[(4-ethylbenzoyl)amino]propanoate
CID 91714756
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546
octyl 2-[(2-chlorobenzoyl)-methylamino]acetate
CID 91716463

Frequently Asked Questions

What is the IUPAC name of pentyl 3-[(2-chlorobenzoyl)amino]propanoate?
The IUPAC name of pentyl 3-[(2-chlorobenzoyl)amino]propanoate (CID 91716440) is pentyl 3-[(2-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for pentyl 3-[(2-chlorobenzoyl)amino]propanoate?
The canonical SMILES for pentyl 3-[(2-chlorobenzoyl)amino]propanoate is CCCCCOC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of pentyl 3-[(2-chlorobenzoyl)amino]propanoate?
The InChIKey is MMWDKJCCDUDHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-2-3-6-11-20-14(18)9-10-17-15(19)12-7-4-5-8-13(12)16/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,19).
What are the key properties of pentyl 3-[(2-chlorobenzoyl)amino]propanoate?
pentyl 3-[(2-chlorobenzoyl)amino]propanoate has a molecular weight of 297.78 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 3-[(2-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 91716440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).