1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C16H17FN2O3 — CID 119168017

IUPAC1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C16H17FN2O3/c17-11-5-4-6-12-10(11)9-13(18-12)14(20)19-16(15(21)22)7-2-1-3-8-16/h4-6,9,18H,1-3,7-8H2,(H,19,20)(H,21,22)
InChIKeyVIWJYTOYKKUXOG-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.82
Rot. Bonds3

About 1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119168017) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119168017
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C16H17FN2O3/c17-11-5-4-6-12-10(11)9-13(18-12)14(20)19-16(15(21)22)7-2-1-3-8-16/h4-6,9,18H,1-3,7-8H2,(H,19,20)(H,21,22)
InChIKeyVIWJYTOYKKUXOG-UHFFFAOYSA-N
XLogP2.82
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43341202
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406
1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176792
4-fluoro-N-(4-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 134010426
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide
CID 111451520
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24708713
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 36852655
4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
CID 47151029
1-[(2-oxo-3H-1,3-benzoxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 67180461

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119168017) is 1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of 1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VIWJYTOYKKUXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-11-5-4-6-12-10(11)9-13(18-12)14(20)19-16(15(21)22)7-2-1-3-8-16/h4-6,9,18H,1-3,7-8H2,(H,19,20)(H,21,22).
What are the key properties of 1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 304.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119168017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).