2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid

C16H14ClNO4 — CID 2975075

IUPAC2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H14ClNO4/c1-10(22-12-6-4-5-11(17)9-12)15(19)18-14-8-3-2-7-13(14)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyBFARJUBDWYUUHV-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.44
Rot. Bonds5

About 2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid

2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid (PubChem CID 2975075) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
PubChem CID2975075
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H14ClNO4/c1-10(22-12-6-4-5-11(17)9-12)15(19)18-14-8-3-2-7-13(14)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyBFARJUBDWYUUHV-UHFFFAOYSA-N
XLogP3.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
CID 42906301
2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92685505
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274
2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 43908435
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(3-chlorophenoxy)propanamide
CID 9497371
2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952
(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 894651
N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 103479982
N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide
CID 1313437

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid?
The IUPAC name of 2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid (CID 2975075) is 2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid?
The canonical SMILES for 2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid?
The InChIKey is BFARJUBDWYUUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-10(22-12-6-4-5-11(17)9-12)15(19)18-14-8-3-2-7-13(14)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid?
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid has a molecular weight of 319.74 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid is sourced from PubChem (CID 2975075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).