(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide

C13H15ClN2O — CID 7158869

IUPAC(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
SMILESCc1cc2cc(CNC(=O)[C@@H](C)Cl)ccc2[nH]1
InChIInChI=1S/C13H15ClN2O/c1-8-5-11-6-10(3-4-12(11)16-8)7-15-13(17)9(2)14/h3-6,9,16H,7H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyWWIHASNKMRZWNU-SECBINFHSA-N
MW250.73 g/mol
LogP2.72
Rot. Bonds3

About (2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide

(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide (PubChem CID 7158869) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is (2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
PubChem CID7158869
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
SMILESCc1cc2cc(CNC(=O)[C@@H](C)Cl)ccc2[nH]1
InChIInChI=1S/C13H15ClN2O/c1-8-5-11-6-10(3-4-12(11)16-8)7-15-13(17)9(2)14/h3-6,9,16H,7H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyWWIHASNKMRZWNU-SECBINFHSA-N
XLogP2.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
1-tert-butyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 110668194
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
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
(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide
CID 7141272
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042465
1,2-dimethyl-3-[(2-methyl-1H-indol-5-yl)methyl]guanidine
CID 166192902
3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 167798638
N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 91777982
2-methyl-5-(3-methylbutyl)-1H-indole
CID 135233610
N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide
CID 110703838

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide (CID 7158869) is (2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide is Cc1cc2cc(CNC(=O)[C@@H](C)Cl)ccc2[nH]1.
What is the InChIKey of (2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide?
The InChIKey is WWIHASNKMRZWNU-SECBINFHSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8-5-11-6-10(3-4-12(11)16-8)7-15-13(17)9(2)14/h3-6,9,16H,7H2,1-2H3,(H,15,17)/t9-/m1/s1.
What are the key properties of (2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide?
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide has a molecular weight of 250.73 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide is sourced from PubChem (CID 7158869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).