2-chloro-6-(3-phenylpropanoylamino)benzoic acid

C16H14ClNO3 — CID 63723256

IUPAC2-chloro-6-(3-phenylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccccc1)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C16H14ClNO3/c17-12-7-4-8-13(15(12)16(20)21)18-14(19)10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKeyFRDDGGFVMOMBOB-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.61
Rot. Bonds5

About 2-chloro-6-(3-phenylpropanoylamino)benzoic acid

2-chloro-6-(3-phenylpropanoylamino)benzoic acid (PubChem CID 63723256) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-6-(3-phenylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(3-phenylpropanoylamino)benzoic acid
PubChem CID63723256
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-chloro-6-(3-phenylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccccc1)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C16H14ClNO3/c17-12-7-4-8-13(15(12)16(20)21)18-14(19)10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)(H,20,21)
InChIKeyFRDDGGFVMOMBOB-UHFFFAOYSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(pentanoylamino)benzoic acid
CID 55231346
2-(4-aminobutanoylamino)-6-chlorobenzoic acid
CID 63722595
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 63724266
2-(6-aminohexanoylamino)-6-chlorobenzoic acid
CID 63724633
2-chloro-6-(3-ethoxypropanoylamino)benzoic acid
CID 63724109
2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 63724953
2-chloro-6-[[2-(2-fluorophenyl)acetyl]amino]benzoic acid
CID 63723434
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid
CID 60826360
N-(2-amino-6-chlorophenyl)-3-phenylpropanamide
CID 62084084
N-(2,3-dichlorophenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide
CID 3412271

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-phenylpropanoylamino)benzoic acid?
The IUPAC name of 2-chloro-6-(3-phenylpropanoylamino)benzoic acid (CID 63723256) is 2-chloro-6-(3-phenylpropanoylamino)benzoic acid.
What is the SMILES notation for 2-chloro-6-(3-phenylpropanoylamino)benzoic acid?
The canonical SMILES for 2-chloro-6-(3-phenylpropanoylamino)benzoic acid is O=C(CCc1ccccc1)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-(3-phenylpropanoylamino)benzoic acid?
The InChIKey is FRDDGGFVMOMBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-12-7-4-8-13(15(12)16(20)21)18-14(19)10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-6-(3-phenylpropanoylamino)benzoic acid?
2-chloro-6-(3-phenylpropanoylamino)benzoic acid has a molecular weight of 303.75 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-phenylpropanoylamino)benzoic acid is sourced from PubChem (CID 63723256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).