(3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate

C16H11Cl3NO3- — CID 7310460

IUPAC(3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate
SMILESO=C([O-])C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl3NO3/c17-10-6-4-9(5-7-10)13(8-14(21)22)20-16(23)15-11(18)2-1-3-12(15)19/h1-7,13H,8H2,(H,20,23)(H,21,22)/p-1/t13-/m0/s1
InChIKeyFOXQGYSHXYXXQY-ZDUSSCGKSA-M
MW371.63 g/mol
LogP3.26
Rot. Bonds5

About (3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate

(3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate (PubChem CID 7310460) has the molecular formula C16H11Cl3NO3- and a molecular weight of 371.63 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate
PubChem CID7310460
Molecular FormulaC16H11Cl3NO3-
Molecular Weight371.63 g/mol
Exact Mass369.98
IUPAC Name(3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate
SMILESO=C([O-])C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl3NO3/c17-10-6-4-9(5-7-10)13(8-14(21)22)20-16(23)15-11(18)2-1-3-12(15)19/h1-7,13H,8H2,(H,20,23)(H,21,22)/p-1/t13-/m0/s1
InChIKeyFOXQGYSHXYXXQY-ZDUSSCGKSA-M
XLogP3.26
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.63
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(2,6-dichlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
CID 7300595
3-(4-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 3685562
(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
CID 7310731
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
(3S)-3-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]propanoate
CID 6937101
(3S)-3-(4-tert-butylphenyl)-3-[(2,4-dichlorobenzoyl)amino]propanoate
CID 7305724
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
(3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate
CID 6926645
3-[(2-chloro-6-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoic acid
CID 45432117
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291163
(3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 7310436
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 5058619

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate?
The IUPAC name of (3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate (CID 7310460) is (3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate is O=C([O-])C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate?
The InChIKey is FOXQGYSHXYXXQY-ZDUSSCGKSA-M. The full InChI is InChI=1S/C16H12Cl3NO3/c17-10-6-4-9(5-7-10)13(8-14(21)22)20-16(23)15-11(18)2-1-3-12(15)19/h1-7,13H,8H2,(H,20,23)(H,21,22)/p-1/t13-/m0/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate?
(3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate has a molecular weight of 371.63 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate is sourced from PubChem (CID 7310460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).