3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate

C19H19ClNO4- — CID 5058619

IUPAC3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
SMILESCC(C)Oc1ccc(C(CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO4/c1-12(2)25-16-9-5-13(6-10-16)17(11-18(22)23)21-19(24)14-3-7-15(20)8-4-14/h3-10,12,17H,11H2,1-2H3,(H,21,24)(H,22,23)/p-1
InChIKeyDVDKPAYTTCEFAU-UHFFFAOYSA-M
MW360.82 g/mol
LogP2.74
Rot. Bonds7

About 3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate

3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate (PubChem CID 5058619) has the molecular formula C19H19ClNO4- and a molecular weight of 360.82 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
PubChem CID5058619
Molecular FormulaC19H19ClNO4-
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
SMILESCC(C)Oc1ccc(C(CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO4/c1-12(2)25-16-9-5-13(6-10-16)17(11-18(22)23)21-19(24)14-3-7-15(20)8-4-14/h3-10,12,17H,11H2,1-2H3,(H,21,24)(H,22,23)/p-1
InChIKeyDVDKPAYTTCEFAU-UHFFFAOYSA-M
XLogP2.74
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3927464
(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
CID 7310731
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
(3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate
CID 6937101
(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 40514082
3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3934367
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
3-(4-chlorophenyl)-3-[(3,4-diethoxybenzoyl)amino]propanoate
CID 3434249
(3R)-3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 1263720
(3R)-3-(1,3-benzodioxol-5-yl)-3-[(4-chlorobenzoyl)amino]propanoate
CID 7057828
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291163

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate (CID 5058619) is 3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate is CC(C)Oc1ccc(C(CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate?
The InChIKey is DVDKPAYTTCEFAU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H20ClNO4/c1-12(2)25-16-9-5-13(6-10-16)17(11-18(22)23)21-19(24)14-3-7-15(20)8-4-14/h3-10,12,17H,11H2,1-2H3,(H,21,24)(H,22,23)/p-1.
What are the key properties of 3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate?
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate has a molecular weight of 360.82 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate is sourced from PubChem (CID 5058619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).