ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate

C20H20ClN5O4 — CID 56858702

IUPACethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cc(-c2cc(Cl)ccc2OC)cc(-n2cnnn2)c1
InChIInChI=1S/C20H20ClN5O4/c1-3-30-19(27)6-7-22-20(28)14-8-13(9-16(10-14)26-12-23-24-25-26)17-11-15(21)4-5-18(17)29-2/h4-5,8-12H,3,6-7H2,1-2H3,(H,22,28)
InChIKeyMEVUJFKEIGYYEJ-UHFFFAOYSA-N
MW429.86 g/mol
LogP2.67
Rot. Bonds8

About ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate

ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate (PubChem CID 56858702) has the molecular formula C20H20ClN5O4 and a molecular weight of 429.86 g/mol. Its IUPAC name is ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate
PubChem CID56858702
Molecular FormulaC20H20ClN5O4
Molecular Weight429.86 g/mol
Exact Mass429.12
IUPAC Nameethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cc(-c2cc(Cl)ccc2OC)cc(-n2cnnn2)c1
InChIInChI=1S/C20H20ClN5O4/c1-3-30-19(27)6-7-22-20(28)14-8-13(9-16(10-14)26-12-23-24-25-26)17-11-15(21)4-5-18(17)29-2/h4-5,8-12H,3,6-7H2,1-2H3,(H,22,28)
InChIKeyMEVUJFKEIGYYEJ-UHFFFAOYSA-N
XLogP2.67
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate with MolForge

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Related Compounds

3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
CID 25252656
3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316008
3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
CID 25255134
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252796
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252950
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylsulfanylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252658
N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 42421765
ethyl 3-[(3,5-dichlorobenzoyl)amino]propanoate
CID 47437680
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42212306
ethyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate
CID 103826754
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate?
The IUPAC name of ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate (CID 56858702) is ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate is CCOC(=O)CCNC(=O)c1cc(-c2cc(Cl)ccc2OC)cc(-n2cnnn2)c1.
What is the InChIKey of ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate?
The InChIKey is MEVUJFKEIGYYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O4/c1-3-30-19(27)6-7-22-20(28)14-8-13(9-16(10-14)26-12-23-24-25-26)17-11-15(21)4-5-18(17)29-2/h4-5,8-12H,3,6-7H2,1-2H3,(H,22,28).
What are the key properties of ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate?
ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate has a molecular weight of 429.86 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate is sourced from PubChem (CID 56858702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).