N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide

C16H13ClN2O — CID 122690115

IUPACN-(5-chloro-1H-indol-3-yl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H13ClN2O/c1-11(20)19(13-5-3-2-4-6-13)16-10-18-15-8-7-12(17)9-14(15)16/h2-10,18H,1H3
InChIKeyCNTDYRWSDOHNDP-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.51
Rot. Bonds2

About N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide

N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide (PubChem CID 122690115) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(5-chloro-1H-indol-3-yl)-N-phenylacetamide
PubChem CID122690115
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC NameN-(5-chloro-1H-indol-3-yl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H13ClN2O/c1-11(20)19(13-5-3-2-4-6-13)16-10-18-15-8-7-12(17)9-14(15)16/h2-10,18H,1H3
InChIKeyCNTDYRWSDOHNDP-UHFFFAOYSA-N
XLogP4.51
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide
CID 70220108
(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone
CID 79215184
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
3-(benzenesulfonyl)-5-chloro-1H-indole
CID 54518523
ethyl 3-(N-acetylanilino)-5-chloropyridine-2-carboxylate
CID 18980380
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide
CID 57461293
N-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide
CID 175416260
1,1-bis(1H-indol-3-yl)urea
CID 57486091
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
4-(5-chloro-1H-indol-3-yl)-4-hydroxybut-3-en-2-one;4-(5-chloro-1H-indol-3-yl)-4-hydroxy-2-oxobut-3-enoic acid
CID 160738142

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide?
The IUPAC name of N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide (CID 122690115) is N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide.
What is the SMILES notation for N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide?
The canonical SMILES for N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide is CC(=O)N(c1ccccc1)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide?
The InChIKey is CNTDYRWSDOHNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11(20)19(13-5-3-2-4-6-13)16-10-18-15-8-7-12(17)9-14(15)16/h2-10,18H,1H3.
What are the key properties of N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide?
N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide has a molecular weight of 284.75 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide is sourced from PubChem (CID 122690115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).