2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide

C13H15ClN2O — CID 1162947

IUPAC2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
SMILESC[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCl
InChIInChI=1S/C13H15ClN2O/c1-9(16-13(17)7-14)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyHWTUYWOUWHLNKW-SECBINFHSA-N
MW250.73 g/mol
LogP2.45
Rot. Bonds4

About 2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide

2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide (PubChem CID 1162947) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
PubChem CID1162947
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
SMILESC[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCl
InChIInChI=1S/C13H15ClN2O/c1-9(16-13(17)7-14)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyHWTUYWOUWHLNKW-SECBINFHSA-N
XLogP2.45
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.45
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-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
(E)-4-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]-4-oxobut-2-enoate
CID 6998653
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
CID 138693223
sodium 3-[2-(3-sulfosulfanylpropanoylamino)propyl]-1H-indole
CID 126465875
N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
CID 3677874
N-[1-(1H-indol-3-yl)propan-2-yl]-4-nitrobenzamide
CID 2827451
2-amino-N-(4-hydroxybutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 114350867
N-[1-(1H-indol-3-yl)propan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 2827377

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide (CID 1162947) is 2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide is C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide?
The InChIKey is HWTUYWOUWHLNKW-SECBINFHSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9(16-13(17)7-14)6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide?
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide has a molecular weight of 250.73 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 1162947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).