2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid

C15H14ClNO3 — CID 62946093

IUPAC2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
SMILESO=C(O)c1ccc(N(Cc2ccco2)C2CC2)cc1Cl
InChIInChI=1S/C15H14ClNO3/c16-14-8-11(5-6-13(14)15(18)19)17(10-3-4-10)9-12-2-1-7-20-12/h1-2,5-8,10H,3-4,9H2,(H,18,19)
InChIKeySUSXVVAVBUSGHT-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.80
Rot. Bonds5

About 2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid

2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid (PubChem CID 62946093) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
PubChem CID62946093
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
SMILESO=C(O)c1ccc(N(Cc2ccco2)C2CC2)cc1Cl
InChIInChI=1S/C15H14ClNO3/c16-14-8-11(5-6-13(14)15(18)19)17(10-3-4-10)9-12-2-1-7-20-12/h1-2,5-8,10H,3-4,9H2,(H,18,19)
InChIKeySUSXVVAVBUSGHT-UHFFFAOYSA-N
XLogP3.80
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-chloro-2-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 107195369
3-amino-2-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 115934626
4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbenzoic acid
CID 62120263
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde
CID 55003500
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde
CID 55038382
2-bromo-6-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 114888165
2-chloro-4-(furan-2-ylmethoxy)benzoic acid
CID 62946408
[3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol
CID 106529823
4-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-2-carbothioamide
CID 62927141
2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 35122106

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid (CID 62946093) is 2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid is O=C(O)c1ccc(N(Cc2ccco2)C2CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid?
The InChIKey is SUSXVVAVBUSGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-14-8-11(5-6-13(14)15(18)19)17(10-3-4-10)9-12-2-1-7-20-12/h1-2,5-8,10H,3-4,9H2,(H,18,19).
What are the key properties of 2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid?
2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid has a molecular weight of 291.73 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid is sourced from PubChem (CID 62946093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).