5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid

C19H17ClN2O2 — CID 90152599

IUPAC5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Nc1ccc2c(ccn2CC2CC2)c1
InChIInChI=1S/C19H17ClN2O2/c20-14-3-5-17(16(10-14)19(23)24)21-15-4-6-18-13(9-15)7-8-22(18)11-12-1-2-12/h3-10,12,21H,1-2,11H2,(H,23,24)
InChIKeyZPNWNUCJDFQWRD-UHFFFAOYSA-N
MW340.81 g/mol
LogP5.15
Rot. Bonds5

About 5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid

5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid (PubChem CID 90152599) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid
PubChem CID90152599
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Nc1ccc2c(ccn2CC2CC2)c1
InChIInChI=1S/C19H17ClN2O2/c20-14-3-5-17(16(10-14)19(23)24)21-15-4-6-18-13(9-15)7-8-22(18)11-12-1-2-12/h3-10,12,21H,1-2,11H2,(H,23,24)
InChIKeyZPNWNUCJDFQWRD-UHFFFAOYSA-N
XLogP5.15
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.81
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[5-(2-carboxy-4-chloroanilino)indol-1-yl]-2-chlorobenzoic acid;methane
CID 144618913
2-[(1-benzylindol-5-yl)amino]-5-cyclopentylbenzoic acid
CID 90153225
5-chloro-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid
CID 90152581
5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid
CID 46185781
2-[(1-benzylindazol-5-yl)amino]-5-chlorobenzoic acid
CID 90152676
5-chloro-2-(4-methoxyanilino)benzoic acid
CID 13371480
5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid
CID 159831646
2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid
CID 117118786
5-cyclopropyl-2-[[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]indol-5-yl]amino]benzoic acid
CID 90152573
5-chloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182658
2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid
CID 86657259
ethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate
CID 23636399

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid (CID 90152599) is 5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid is O=C(O)c1cc(Cl)ccc1Nc1ccc2c(ccn2CC2CC2)c1.
What is the InChIKey of 5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid?
The InChIKey is ZPNWNUCJDFQWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-14-3-5-17(16(10-14)19(23)24)21-15-4-6-18-13(9-15)7-8-22(18)11-12-1-2-12/h3-10,12,21H,1-2,11H2,(H,23,24).
What are the key properties of 5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid?
5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid has a molecular weight of 340.81 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid is sourced from PubChem (CID 90152599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).