3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide

C17H14BrClN2O — CID 167798638

IUPAC3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
SMILESCc1cc2cc(CNC(=O)c3cccc(Br)c3Cl)ccc2[nH]1
InChIInChI=1S/C17H14BrClN2O/c1-10-7-12-8-11(5-6-15(12)21-10)9-20-17(22)13-3-2-4-14(18)16(13)19/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyVBLQWSWJIPWEEN-UHFFFAOYSA-N
MW377.67 g/mol
LogP4.82
Rot. Bonds3

About 3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide

3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide (PubChem CID 167798638) has the molecular formula C17H14BrClN2O and a molecular weight of 377.67 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
PubChem CID167798638
Molecular FormulaC17H14BrClN2O
Molecular Weight377.67 g/mol
Exact Mass376.00
IUPAC Name3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
SMILESCc1cc2cc(CNC(=O)c3cccc(Br)c3Cl)ccc2[nH]1
InChIInChI=1S/C17H14BrClN2O/c1-10-7-12-8-11(5-6-15(12)21-10)9-20-17(22)13-3-2-4-14(18)16(13)19/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyVBLQWSWJIPWEEN-UHFFFAOYSA-N
XLogP4.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.67
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096662
3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096420
2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 4549485
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 103975255
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042465
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
1-tert-butyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 110668194
(E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide
CID 110425618
1-(3-bromophenyl)-3-[(2-methyl-1H-indol-5-yl)methyl]thiourea
CID 5153277

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The IUPAC name of 3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide (CID 167798638) is 3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide is Cc1cc2cc(CNC(=O)c3cccc(Br)c3Cl)ccc2[nH]1.
What is the InChIKey of 3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The InChIKey is VBLQWSWJIPWEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O/c1-10-7-12-8-11(5-6-15(12)21-10)9-20-17(22)13-3-2-4-14(18)16(13)19/h2-8,21H,9H2,1H3,(H,20,22).
What are the key properties of 3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide has a molecular weight of 377.67 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide is sourced from PubChem (CID 167798638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).