N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide

C14H17ClN2O — CID 110848452

IUPACN-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide
SMILESCCC(C)NC(=O)Cc1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C14H17ClN2O/c1-3-9(2)17-13(18)7-10-8-16-12-6-4-5-11(15)14(10)12/h4-6,8-9,16H,3,7H2,1-2H3,(H,17,18)
InChIKeySMEXVJCWCQQCAO-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.28
Rot. Bonds4

About N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide

N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide (PubChem CID 110848452) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide
PubChem CID110848452
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide
SMILESCCC(C)NC(=O)Cc1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C14H17ClN2O/c1-3-9(2)17-13(18)7-10-8-16-12-6-4-5-11(15)14(10)12/h4-6,8-9,16H,3,7H2,1-2H3,(H,17,18)
InChIKeySMEXVJCWCQQCAO-UHFFFAOYSA-N
XLogP3.28
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-1H-indol-3-yl)-N-prop-2-ynylacetamide
CID 136544621
N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005911
propyl 2-(4-chloro-1H-indol-3-yl)acetate
CID 71346867
(2R)-3-(4-chloro-1H-indol-3-yl)-2-[(3-ethoxy-3-oxopropanoyl)amino]propanoic acid
CID 154350626
3-(4-chloro-1H-indol-3-yl)-2-[(3-ethoxy-3-oxopropanoyl)amino]propanoic acid
CID 131751011
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854
1-(4-chloro-1H-indol-3-yl)propan-2-amine
CID 12832
N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide
CID 178070450
2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 120523694
3-(4-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 22309410
N-(1-ethoxypropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 47903557
N-butan-2-yl-3-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide
CID 112554128

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide (CID 110848452) is N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide is CCC(C)NC(=O)Cc1c[nH]c2cccc(Cl)c12.
What is the InChIKey of N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide?
The InChIKey is SMEXVJCWCQQCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-9(2)17-13(18)7-10-8-16-12-6-4-5-11(15)14(10)12/h4-6,8-9,16H,3,7H2,1-2H3,(H,17,18).
What are the key properties of N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide?
N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide has a molecular weight of 264.76 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110848452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).