4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid

C19H21ClN2O4 — CID 122092058

IUPAC4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid
SMILESCOc1cc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)ccc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-26-17-12-15(7-9-16(17)20)22-19(25)21-14(8-10-18(23)24)11-13-5-3-2-4-6-13/h2-7,9,12,14H,8,10-11H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyUGQFSFRQQLAOPU-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.95
Rot. Bonds8

About 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid

4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122092058) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122092058
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid
SMILESCOc1cc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)ccc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-26-17-12-15(7-9-16(17)20)22-19(25)21-14(8-10-18(23)24)11-13-5-3-2-4-6-13/h2-7,9,12,14H,8,10-11H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyUGQFSFRQQLAOPU-UHFFFAOYSA-N
XLogP3.95
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122077963
4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122093496
4-[(4-acetyl-3-methylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088165
4-[[3-(2-methylpropanoylamino)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122075451
methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate
CID 69428404
4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122085643
4-[(3-methyl-4-nitrophenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088999
4-[[3-(1,1-difluoroethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122090873
(2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107829616
5-phenyl-4-[[3-(2,2,2-trifluoroethyl)phenyl]carbamoylamino]pentanoic acid
CID 122085886
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122092507
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid (CID 122092058) is 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid is COc1cc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is UGQFSFRQQLAOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-26-17-12-15(7-9-16(17)20)22-19(25)21-14(8-10-18(23)24)11-13-5-3-2-4-6-13/h2-7,9,12,14H,8,10-11H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid?
4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 376.84 g/mol, XLogP of 3.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122092058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).