N-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide

C15H17ClN6O3 — CID 164630213

IUPACN-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CC[C@H](NC(C)=O)C1
InChIInChI=1S/C15H17ClN6O3/c1-9(23)18-10-3-4-21(7-10)15(24)11-5-12(16)13(6-14(11)25-2)22-8-17-19-20-22/h5-6,8,10H,3-4,7H2,1-2H3,(H,18,23)/t10-/m0/s1
InChIKeyHCXUTWMXDMZMLA-JTQLQIEISA-N
MW364.79 g/mol
LogP0.67
Rot. Bonds4

About N-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide

N-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide (PubChem CID 164630213) has the molecular formula C15H17ClN6O3 and a molecular weight of 364.79 g/mol. Its IUPAC name is N-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide
PubChem CID164630213
Molecular FormulaC15H17ClN6O3
Molecular Weight364.79 g/mol
Exact Mass364.11
IUPAC NameN-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CC[C@H](NC(C)=O)C1
InChIInChI=1S/C15H17ClN6O3/c1-9(23)18-10-3-4-21(7-10)15(24)11-5-12(16)13(6-14(11)25-2)22-8-17-19-20-22/h5-6,8,10H,3-4,7H2,1-2H3,(H,18,23)/t10-/m0/s1
InChIKeyHCXUTWMXDMZMLA-JTQLQIEISA-N
XLogP0.67
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]benzamide
CID 68593479
N-((1-(3-(tetrazol-1-yl)propyl)piperidin-4-yl)methyl)-4-amino-5-chloro-2-methoxybenzamide
CID 54575166
N-((1-(3-(1,2,4-triazol-1-yl)propyl)piperidin-4-yl)methyl)-4-amino-5-chloro-2-methoxybenzamide
CID 66780300
Benzamide, 5-chloro-N-(2-(diethylamino)ethyl)-4-((4,5-dihydro-1H-imidazol-2-yl)amino)-2-methoxy-
CID 3066734
Benzamide, 5-chloro-4-((4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino)-2-methoxy-N-((1-(2-propenyl)-2-pyrrolidinyl)methyl)-
CID 3066760
Benzamide, 5-chloro-4-((4,5-dihydro-1H-imidazol-2-yl)amino)-2-methoxy-N-methyl-
CID 3076684
Benzamide, 5-chloro-N-(2-(diethylamino)ethyl)-4-((4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino)-2-methoxy-
CID 3076803
5-chloro-2-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid
CID 16775238
[5-Chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 45830349
5-chloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 45907763
5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 49336468
5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55770615

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide (CID 164630213) is N-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CC[C@H](NC(C)=O)C1.
What is the InChIKey of N-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide?
The InChIKey is HCXUTWMXDMZMLA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17ClN6O3/c1-9(23)18-10-3-4-21(7-10)15(24)11-5-12(16)13(6-14(11)25-2)22-8-17-19-20-22/h5-6,8,10H,3-4,7H2,1-2H3,(H,18,23)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide?
N-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide has a molecular weight of 364.79 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 164630213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).