3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide

C15H17ClN2O2 — CID 86266713

IUPAC3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide
SMILESCn1cccc1C(O)CCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2/c1-18-9-3-6-13(18)14(19)7-8-17-15(20)11-4-2-5-12(16)10-11/h2-6,9-10,14,19H,7-8H2,1H3,(H,17,20)
InChIKeyABZAACPZCQVKIO-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.53
Rot. Bonds5

About 3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide

3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide (PubChem CID 86266713) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide
PubChem CID86266713
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide
SMILESCn1cccc1C(O)CCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2/c1-18-9-3-6-13(18)14(19)7-8-17-15(20)11-4-2-5-12(16)10-11/h2-6,9-10,14,19H,7-8H2,1H3,(H,17,20)
InChIKeyABZAACPZCQVKIO-UHFFFAOYSA-N
XLogP2.53
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 99997411
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
CID 90496187
N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496385
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437
2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride
CID 18531817
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-3-phenylsulfanylpropanamide
CID 86266724
1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea
CID 99998094
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
methyl 4-[[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate
CID 95982482

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide?
The IUPAC name of 3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide (CID 86266713) is 3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide is Cn1cccc1C(O)CCNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide?
The InChIKey is ABZAACPZCQVKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-18-9-3-6-13(18)14(19)7-8-17-15(20)11-4-2-5-12(16)10-11/h2-6,9-10,14,19H,7-8H2,1H3,(H,17,20).
What are the key properties of 3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide?
3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide has a molecular weight of 292.77 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide is sourced from PubChem (CID 86266713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).