1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C15H14Cl2N2O3 — CID 119176792

IUPAC1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C15H14Cl2N2O3/c16-8-3-4-10-9(7-8)11(17)12(18-10)13(20)19-15(14(21)22)5-1-2-6-15/h3-4,7,18H,1-2,5-6H2,(H,19,20)(H,21,22)
InChIKeyJLLVOPYFXDPUMK-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.60
Rot. Bonds3

About 1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 119176792) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is 1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID119176792
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Name1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C15H14Cl2N2O3/c16-8-3-4-10-9(7-8)11(17)12(18-10)13(20)19-15(14(21)22)5-1-2-6-15/h3-4,7,18H,1-2,5-6H2,(H,19,20)(H,21,22)
InChIKeyJLLVOPYFXDPUMK-UHFFFAOYSA-N
XLogP3.60
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460
1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158312
1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119168017
3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide
CID 55911404
3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide
CID 110900787
1-[[(3-chloro-5-fluoro-1H-indole-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543884
3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide
CID 111520117
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43341202
1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61199392
3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide
CID 166187794
3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide
CID 55644479
1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 103925830

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 119176792) is 1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1[nH]c2ccc(Cl)cc2c1Cl.
What is the InChIKey of 1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is JLLVOPYFXDPUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c16-8-3-4-10-9(7-8)11(17)12(18-10)13(20)19-15(14(21)22)5-1-2-6-15/h3-4,7,18H,1-2,5-6H2,(H,19,20)(H,21,22).
What are the key properties of 1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 341.19 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119176792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).