2-chloro-4-(dicyclopropylmethylamino)benzoic acid

C14H16ClNO2 — CID 62945756

IUPAC2-chloro-4-(dicyclopropylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(C2CC2)C2CC2)cc1Cl
InChIInChI=1S/C14H16ClNO2/c15-12-7-10(5-6-11(12)14(17)18)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4H2,(H,17,18)
InChIKeyIAODTWRMBDRWFS-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.64
Rot. Bonds5

About 2-chloro-4-(dicyclopropylmethylamino)benzoic acid

2-chloro-4-(dicyclopropylmethylamino)benzoic acid (PubChem CID 62945756) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-4-(dicyclopropylmethylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(dicyclopropylmethylamino)benzoic acid
PubChem CID62945756
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name2-chloro-4-(dicyclopropylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(C2CC2)C2CC2)cc1Cl
InChIInChI=1S/C14H16ClNO2/c15-12-7-10(5-6-11(12)14(17)18)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4H2,(H,17,18)
InChIKeyIAODTWRMBDRWFS-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide
CID 54864640
2-chloro-4-(3-methylpentan-2-ylamino)benzoic acid
CID 62945460
2-chloro-4-[(1-hydroxy-3-methylbutan-2-yl)amino]benzoic acid
CID 79245176
2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61314159
2-chloro-4-[1-(4-methylphenyl)ethylamino]benzoic acid
CID 62945610
2-chloro-4-(oxolan-3-ylamino)benzoic acid
CID 80715849
2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541224
2-chloro-4-[(4-hydroxycyclohexyl)methylamino]benzoic acid
CID 106137645
2-chloro-4-(methanethioylamino)benzoic acid
CID 177332545
4-(dicyclopropylmethylamino)-2,3-difluorobenzoic acid
CID 79837425
2-chloro-4-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462421
2-chloro-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(dicyclopropylmethylamino)benzoic acid?
The IUPAC name of 2-chloro-4-(dicyclopropylmethylamino)benzoic acid (CID 62945756) is 2-chloro-4-(dicyclopropylmethylamino)benzoic acid.
What is the SMILES notation for 2-chloro-4-(dicyclopropylmethylamino)benzoic acid?
The canonical SMILES for 2-chloro-4-(dicyclopropylmethylamino)benzoic acid is O=C(O)c1ccc(NC(C2CC2)C2CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(dicyclopropylmethylamino)benzoic acid?
The InChIKey is IAODTWRMBDRWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-12-7-10(5-6-11(12)14(17)18)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4H2,(H,17,18).
What are the key properties of 2-chloro-4-(dicyclopropylmethylamino)benzoic acid?
2-chloro-4-(dicyclopropylmethylamino)benzoic acid has a molecular weight of 265.74 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(dicyclopropylmethylamino)benzoic acid is sourced from PubChem (CID 62945756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).