4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid

C17H15Cl2NO3 — CID 141007973

IUPAC4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid
SMILESCC(Cc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C17H15Cl2NO3/c1-10(7-11-3-2-4-13(18)8-11)16(21)20-15-9-12(17(22)23)5-6-14(15)19/h2-6,8-10H,7H2,1H3,(H,20,21)(H,22,23)
InChIKeyUUBSSLDZWOZQPT-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.51
Rot. Bonds5

About 4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid

4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid (PubChem CID 141007973) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is 4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid
PubChem CID141007973
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid
SMILESCC(Cc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C17H15Cl2NO3/c1-10(7-11-3-2-4-13(18)8-11)16(21)20-15-9-12(17(22)23)5-6-14(15)19/h2-6,8-10H,7H2,1H3,(H,20,21)(H,22,23)
InChIKeyUUBSSLDZWOZQPT-UHFFFAOYSA-N
XLogP4.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-[[2-methyl-3-[4-(trifluoromethyl)phenyl]propanoyl]amino]benzoic acid
CID 141007959
4-chloro-3-[[3-(ethylamino)-2-methylpropanoyl]amino]benzoic acid
CID 62838559
4-chloro-3-[[2-methyl-3-(2-nitrophenyl)propanoyl]amino]benzoic acid
CID 141008075
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
4-chloro-2-[[2-methyl-3-(3-methylphenyl)propanoyl]amino]benzoic acid
CID 141008024
3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 120515175
4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid
CID 43809174
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983
4-chloro-2-[[3-(3-methoxyphenyl)-2-methylpropanoyl]amino]benzoic acid
CID 141008032
3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]-3-ethylpentanoic acid
CID 120532467
4-chloro-3-(5-methylhexan-2-ylcarbamoylamino)benzoic acid
CID 63926936
3-[[(2S)-2-aminopentanoyl]amino]-4-chlorobenzoic acid
CID 103869558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid?
The IUPAC name of 4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid (CID 141007973) is 4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid is CC(Cc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid?
The InChIKey is UUBSSLDZWOZQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-10(7-11-3-2-4-13(18)8-11)16(21)20-15-9-12(17(22)23)5-6-14(15)19/h2-6,8-10H,7H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid?
4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid has a molecular weight of 352.22 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]benzoic acid is sourced from PubChem (CID 141007973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).