7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide

C14H17ClN2O — CID 108804029

IUPAC7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C14H17ClN2O/c1-9(2)6-7-16-14(18)12-8-10-4-3-5-11(15)13(10)17-12/h3-5,8-9,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyZCEHIRGUVOJXSK-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.60
Rot. Bonds4

About 7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide

7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide (PubChem CID 108804029) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide
PubChem CID108804029
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C14H17ClN2O/c1-9(2)6-7-16-14(18)12-8-10-4-3-5-11(15)13(10)17-12/h3-5,8-9,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyZCEHIRGUVOJXSK-UHFFFAOYSA-N
XLogP3.60
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide
CID 108791704
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide
CID 108791742
7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 108791679
7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 108791722
7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
CID 108791658
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791770
7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide
CID 108791753
7-amino-N-propyl-1H-indole-2-carboxamide
CID 62056831
7-chloro-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849434

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide (CID 108804029) is 7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide is CC(C)CCNC(=O)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide?
The InChIKey is ZCEHIRGUVOJXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9(2)6-7-16-14(18)12-8-10-4-3-5-11(15)13(10)17-12/h3-5,8-9,17H,6-7H2,1-2H3,(H,16,18).
What are the key properties of 7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide?
7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide has a molecular weight of 264.76 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 108804029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).