2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid

C16H16ClNO2 — CID 64694791

IUPAC2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid
SMILESCCc1ccccc1CNc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C16H16ClNO2/c1-2-11-6-3-4-7-12(11)10-18-14-9-5-8-13(17)15(14)16(19)20/h3-9,18H,2,10H2,1H3,(H,19,20)
InChIKeyBKHIGNVWDGNIAZ-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.21
Rot. Bonds5

About 2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid

2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid (PubChem CID 64694791) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid
PubChem CID64694791
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid
SMILESCCc1ccccc1CNc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C16H16ClNO2/c1-2-11-6-3-4-7-12(11)10-18-14-9-5-8-13(17)15(14)16(19)20/h3-9,18H,2,10H2,1H3,(H,19,20)
InChIKeyBKHIGNVWDGNIAZ-UHFFFAOYSA-N
XLogP4.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid
CID 106262540
2-[2-[(2,3-dichloroanilino)methyl]phenyl]acetic acid
CID 115461544
2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid
CID 62711304
2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid
CID 62710779
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid
CID 115461558
2-chloro-6-[[2-(2-fluorophenyl)acetyl]amino]benzoic acid
CID 63723434
2-chloro-6-[(2-chlorophenyl)methylamino]benzenecarbothioamide
CID 62500756
2-[(3-chloro-2-hydroxyphenyl)methylamino]benzoic acid
CID 112606376
2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 63825805
2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114181032
2-chloro-6-(2-oxobutyl)benzoic acid
CID 123235479

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid?
The IUPAC name of 2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid (CID 64694791) is 2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid is CCc1ccccc1CNc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid?
The InChIKey is BKHIGNVWDGNIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-11-6-3-4-7-12(11)10-18-14-9-5-8-13(17)15(14)16(19)20/h3-9,18H,2,10H2,1H3,(H,19,20).
What are the key properties of 2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid?
2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid has a molecular weight of 289.76 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid is sourced from PubChem (CID 64694791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).