(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide

C14H17ClN2O — CID 7141272

IUPAC(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide
SMILESCc1cc2cc(CNC(=O)[C@@H](C)Cl)ccc2n1C
InChIInChI=1S/C14H17ClN2O/c1-9-6-12-7-11(4-5-13(12)17(9)3)8-16-14(18)10(2)15/h4-7,10H,8H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeyASSZDXZTQXHWKY-SNVBAGLBSA-N
MW264.76 g/mol
LogP2.73
Rot. Bonds3

About (2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide

(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide (PubChem CID 7141272) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is (2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide
PubChem CID7141272
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide
SMILESCc1cc2cc(CNC(=O)[C@@H](C)Cl)ccc2n1C
InChIInChI=1S/C14H17ClN2O/c1-9-6-12-7-11(4-5-13(12)17(9)3)8-16-14(18)10(2)15/h4-7,10H,8H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeyASSZDXZTQXHWKY-SNVBAGLBSA-N
XLogP2.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide
CID 3239976
3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea
CID 110427865
N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 5175509
N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 3244822
2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 4123208
N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide
CID 3245460
4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 110668205
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
CID 5080692
1-(1,2-dimethylindol-5-yl)propan-2-amine
CID 117204599
1-[(1,2-dimethylindol-5-yl)methyl]-3-(4-nitrophenyl)thiourea
CID 3261014
trans-methyl (1S,3R)-3-[(1,2-dimethylindol-5-yl)methylcarbamoylamino]-2,2-dimethylcyclobutane-1-carboxylate
CID 155963975

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide (CID 7141272) is (2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide is Cc1cc2cc(CNC(=O)[C@@H](C)Cl)ccc2n1C.
What is the InChIKey of (2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide?
The InChIKey is ASSZDXZTQXHWKY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9-6-12-7-11(4-5-13(12)17(9)3)8-16-14(18)10(2)15/h4-7,10H,8H2,1-3H3,(H,16,18)/t10-/m1/s1.
What are the key properties of (2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide?
(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide has a molecular weight of 264.76 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide is sourced from PubChem (CID 7141272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).