4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide

C18H24ClN3O3 — CID 15095971

IUPAC4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)NCC1CCN2CCCC12
InChIInChI=1S/C18H24ClN3O3/c1-11(23)21-15-9-17(25-2)13(8-14(15)19)18(24)20-10-12-5-7-22-6-3-4-16(12)22/h8-9,12,16H,3-7,10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyPUVHFQDXBBZZGG-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.52
Rot. Bonds5

About 4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide

4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide (PubChem CID 15095971) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide
PubChem CID15095971
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)NCC1CCN2CCCC12
InChIInChI=1S/C18H24ClN3O3/c1-11(23)21-15-9-17(25-2)13(8-14(15)19)18(24)20-10-12-5-7-22-6-3-4-16(12)22/h8-9,12,16H,3-7,10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyPUVHFQDXBBZZGG-UHFFFAOYSA-N
XLogP2.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-chloro-N-[[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-2-methoxybenzamide;dihydrochloride
CID 18643698
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-methoxy-5-methylsulfonylbenzamide
CID 10523842
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(3-chloro-4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 91638168
4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17257105
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide
CID 10500609
4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide
CID 4006974
1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 17312286
N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide
CID 17257101
methyl 3-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 18981833
5-chloro-4-(cyclopropylmethylcarbamoylamino)-2-methoxybenzoic acid
CID 61182662
4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide
CID 7379277

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide?
The IUPAC name of 4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide (CID 15095971) is 4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide.
What is the SMILES notation for 4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide?
The canonical SMILES for 4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide is COc1cc(NC(C)=O)c(Cl)cc1C(=O)NCC1CCN2CCCC12.
What is the InChIKey of 4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide?
The InChIKey is PUVHFQDXBBZZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-11(23)21-15-9-17(25-2)13(8-14(15)19)18(24)20-10-12-5-7-22-6-3-4-16(12)22/h8-9,12,16H,3-7,10H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide?
4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide has a molecular weight of 365.86 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide is sourced from PubChem (CID 15095971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).