4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide

C20H19ClN2O — CID 113085802

IUPAC4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide
SMILESCc1[nH]c2ccccc2c1C1(CNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClN2O/c1-13-18(16-4-2-3-5-17(16)23-13)20(10-11-20)12-22-19(24)14-6-8-15(21)9-7-14/h2-9,23H,10-12H2,1H3,(H,22,24)
InChIKeyPICPQDYZTZNNQM-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.59
Rot. Bonds4

About 4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide

4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide (PubChem CID 113085802) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide
PubChem CID113085802
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide
SMILESCc1[nH]c2ccccc2c1C1(CNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClN2O/c1-13-18(16-4-2-3-5-17(16)23-13)20(10-11-20)12-22-19(24)14-6-8-15(21)9-7-14/h2-9,23H,10-12H2,1H3,(H,22,24)
InChIKeyPICPQDYZTZNNQM-UHFFFAOYSA-N
XLogP4.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085824
2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085814
2-(4-methoxyphenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085795
N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
CID 113085807
1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84633361
4-chloro-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
CID 31899293
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084670
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
CID 119317231
4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
CID 110442796
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide
CID 42145645
4-chloro-N-[(2R)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylamino]-1-oxobutan-2-yl]benzamide
CID 52521357

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide (CID 113085802) is 4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide is Cc1[nH]c2ccccc2c1C1(CNC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The InChIKey is PICPQDYZTZNNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-13-18(16-4-2-3-5-17(16)23-13)20(10-11-20)12-22-19(24)14-6-8-15(21)9-7-14/h2-9,23H,10-12H2,1H3,(H,22,24).
What are the key properties of 4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide has a molecular weight of 338.84 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 113085802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).