4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide

C10H15ClN2O3 — CID 103799622

IUPAC4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCOCC(CCO)NC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C10H15ClN2O3/c1-16-6-8(2-3-14)13-10(15)9-4-7(11)5-12-9/h4-5,8,12,14H,2-3,6H2,1H3,(H,13,15)
InChIKeyNVPODRJWKJNKBZ-UHFFFAOYSA-N
MW246.69 g/mol
LogP0.80
Rot. Bonds6

About 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide

4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 103799622) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID103799622
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Name4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCOCC(CCO)NC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C10H15ClN2O3/c1-16-6-8(2-3-14)13-10(15)9-4-7(11)5-12-9/h4-5,8,12,14H,2-3,6H2,1H3,(H,13,15)
InChIKeyNVPODRJWKJNKBZ-UHFFFAOYSA-N
XLogP0.80
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
CID 104981075
2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106153598
N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65381999
methyl 2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoate
CID 43422679
(2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63307372
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151930
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-5-nitrobenzamide
CID 103850791
N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide
CID 63732311
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 106154208
4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 130921065
4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106153342

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide (CID 103799622) is 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide is COCC(CCO)NC(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is NVPODRJWKJNKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3/c1-16-6-8(2-3-14)13-10(15)9-4-7(11)5-12-9/h4-5,8,12,14H,2-3,6H2,1H3,(H,13,15).
What are the key properties of 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 246.69 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 103799622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).