2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide

C14H17ClN2O — CID 116829549

IUPAC2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide
SMILESCn1cc(C(C)(C)NC(=O)CCl)c2ccccc21
InChIInChI=1S/C14H17ClN2O/c1-14(2,16-13(18)8-15)11-9-17(3)12-7-5-4-6-10(11)12/h4-7,9H,8H2,1-3H3,(H,16,18)
InChIKeyHVWCRTMOHIQSCI-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.77
Rot. Bonds3

About 2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide

2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide (PubChem CID 116829549) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide
PubChem CID116829549
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide
SMILESCn1cc(C(C)(C)NC(=O)CCl)c2ccccc21
InChIInChI=1S/C14H17ClN2O/c1-14(2,16-13(18)8-15)11-9-17(3)12-7-5-4-6-10(11)12/h4-7,9H,8H2,1-3H3,(H,16,18)
InChIKeyHVWCRTMOHIQSCI-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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

4-methyl-4-(1-methylindol-3-yl)pentan-2-one
CID 12015252
3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
CID 13205591
[2-methyl-2-(1-methylindol-3-yl)propyl]urea
CID 19756239
2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid
CID 22943029
1-tert-butyl-3-[(1-methylindol-3-yl)methyl]urea
CID 110775093
2-cyclopropyl-2-(1-methylindol-3-yl)propan-1-amine
CID 83840061
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
CID 107845947
N-hydroxy-1-methylindole-3-sulfonamide
CID 82287794
2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile
CID 116840601
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide (CID 116829549) is 2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide is Cn1cc(C(C)(C)NC(=O)CCl)c2ccccc21.
What is the InChIKey of 2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide?
The InChIKey is HVWCRTMOHIQSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-14(2,16-13(18)8-15)11-9-17(3)12-7-5-4-6-10(11)12/h4-7,9H,8H2,1-3H3,(H,16,18).
What are the key properties of 2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide?
2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide has a molecular weight of 264.76 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 116829549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).