4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide

C19H18ClN3O2 — CID 17271798

IUPAC4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12(24)23-16-5-2-13(3-6-16)19(25)21-9-8-14-11-22-18-7-4-15(20)10-17(14)18/h2-7,10-11,22H,8-9H2,1H3,(H,21,25)(H,23,24)
InChIKeyRPTAGFCVHZJZQC-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.75
Rot. Bonds5

About 4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide

4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide (PubChem CID 17271798) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
PubChem CID17271798
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12(24)23-16-5-2-13(3-6-16)19(25)21-9-8-14-11-22-18-7-4-15(20)10-17(14)18/h2-7,10-11,22H,8-9H2,1H3,(H,21,25)(H,23,24)
InChIKeyRPTAGFCVHZJZQC-UHFFFAOYSA-N
XLogP3.75
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide
CID 17272039
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 67974603
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(2-cyanophenyl)benzamide
CID 67973487
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 19589810
4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide
CID 110795201
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide
CID 155563944
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide
CID 67974683
N-[3-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]phenyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 50787302

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide (CID 17271798) is 4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide is CC(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is RPTAGFCVHZJZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12(24)23-16-5-2-13(3-6-16)19(25)21-9-8-14-11-22-18-7-4-15(20)10-17(14)18/h2-7,10-11,22H,8-9H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide?
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 355.83 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 17271798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).