methyl 5-anilino-5-(4-chlorophenyl)pentanoate

C18H20ClNO2 — CID 14576811

IUPACmethyl 5-anilino-5-(4-chlorophenyl)pentanoate
SMILESCOC(=O)CCCC(Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-22-18(21)9-5-8-17(14-10-12-15(19)13-11-14)20-16-6-3-2-4-7-16/h2-4,6-7,10-13,17,20H,5,8-9H2,1H3
InChIKeyVOKGXYYZMAGYOY-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.84
Rot. Bonds7

About methyl 5-anilino-5-(4-chlorophenyl)pentanoate

methyl 5-anilino-5-(4-chlorophenyl)pentanoate (PubChem CID 14576811) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is methyl 5-anilino-5-(4-chlorophenyl)pentanoate.

Molecular Properties

Compound Namemethyl 5-anilino-5-(4-chlorophenyl)pentanoate
PubChem CID14576811
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Namemethyl 5-anilino-5-(4-chlorophenyl)pentanoate
SMILESCOC(=O)CCCC(Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-22-18(21)9-5-8-17(14-10-12-15(19)13-11-14)20-16-6-3-2-4-7-16/h2-4,6-7,10-13,17,20H,5,8-9H2,1H3
InChIKeyVOKGXYYZMAGYOY-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-anilino-5-phenylpentanoate
CID 11818425
methyl 5-(4-chloroanilino)-5-(2,4-dichlorophenyl)pentanoate
CID 58957005
methyl 5,5-diphenylpentanoate
CID 10923549
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
methyl 5-anilino-6,6,6-trifluorohexanoate
CID 46193888
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375266
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
(E)-5-anilino-5-(4-chlorophenyl)pent-2-enoic acid
CID 10662074
acetic acid;chlorobenzene;dimethyl butanedioate
CID 174884752

Frequently Asked Questions

What is the IUPAC name of methyl 5-anilino-5-(4-chlorophenyl)pentanoate?
The IUPAC name of methyl 5-anilino-5-(4-chlorophenyl)pentanoate (CID 14576811) is methyl 5-anilino-5-(4-chlorophenyl)pentanoate.
What is the SMILES notation for methyl 5-anilino-5-(4-chlorophenyl)pentanoate?
The canonical SMILES for methyl 5-anilino-5-(4-chlorophenyl)pentanoate is COC(=O)CCCC(Nc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of methyl 5-anilino-5-(4-chlorophenyl)pentanoate?
The InChIKey is VOKGXYYZMAGYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-22-18(21)9-5-8-17(14-10-12-15(19)13-11-14)20-16-6-3-2-4-7-16/h2-4,6-7,10-13,17,20H,5,8-9H2,1H3.
What are the key properties of methyl 5-anilino-5-(4-chlorophenyl)pentanoate?
methyl 5-anilino-5-(4-chlorophenyl)pentanoate has a molecular weight of 317.82 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-anilino-5-(4-chlorophenyl)pentanoate is sourced from PubChem (CID 14576811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).