3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide

C19H17BrN2O — CID 39313919

IUPAC3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide
SMILESO=C(c1cccc(Br)c1)N(Cc1ccc2cc[nH]c2c1)C1CC1
InChIInChI=1S/C19H17BrN2O/c20-16-3-1-2-15(11-16)19(23)22(17-6-7-17)12-13-4-5-14-8-9-21-18(14)10-13/h1-5,8-11,17,21H,6-7,12H2
InChIKeyKCABQHXDNLDCRQ-UHFFFAOYSA-N
MW369.26 g/mol
LogP4.74
Rot. Bonds4

About 3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide

3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide (PubChem CID 39313919) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide
PubChem CID39313919
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC Name3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide
SMILESO=C(c1cccc(Br)c1)N(Cc1ccc2cc[nH]c2c1)C1CC1
InChIInChI=1S/C19H17BrN2O/c20-16-3-1-2-15(11-16)19(23)22(17-6-7-17)12-13-4-5-14-8-9-21-18(14)10-13/h1-5,8-11,17,21H,6-7,12H2
InChIKeyKCABQHXDNLDCRQ-UHFFFAOYSA-N
XLogP4.74
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-aminophenyl)methyl]-3-bromo-N-cyclopropylbenzamide
CID 43460527
3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide
CID 39313071
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
N-cyclopropyl-N-(1H-indol-6-ylmethyl)-2-methoxyacetamide
CID 39378124
N-cyclopropyl-N-(1H-indol-6-ylmethyl)-4-phenylbutanamide
CID 39335402
3-bromo-N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394655
N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 122131882
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180
N-cyclopentyl-N-(furan-2-ylmethyl)-1H-indole-6-carboxamide
CID 56797541
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide
CID 39313525
N-(2-amino-2-oxoethyl)-N-cyclopentyl-1H-indole-6-carboxamide
CID 61217148

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide (CID 39313919) is 3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide is O=C(c1cccc(Br)c1)N(Cc1ccc2cc[nH]c2c1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide?
The InChIKey is KCABQHXDNLDCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O/c20-16-3-1-2-15(11-16)19(23)22(17-6-7-17)12-13-4-5-14-8-9-21-18(14)10-13/h1-5,8-11,17,21H,6-7,12H2.
What are the key properties of 3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide?
3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide has a molecular weight of 369.26 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide is sourced from PubChem (CID 39313919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).