(4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate

C19H18ClN5O3 — CID 26971559

IUPAC(4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate
SMILESCC[C@H](C(=O)OCc1ccc(C(N)=O)cc1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H18ClN5O3/c1-2-16(19(27)28-11-12-3-5-13(6-4-12)17(21)26)25-23-18(22-24-25)14-7-9-15(20)10-8-14/h3-10,16H,2,11H2,1H3,(H2,21,26)/t16-/m1/s1
InChIKeyIWSKCXPTWDEJMS-MRXNPFEDSA-N
MW399.84 g/mol
LogP2.79
Rot. Bonds7

About (4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate

(4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate (PubChem CID 26971559) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is (4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate.

Molecular Properties

Compound Name(4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate
PubChem CID26971559
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC Name(4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate
SMILESCC[C@H](C(=O)OCc1ccc(C(N)=O)cc1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H18ClN5O3/c1-2-16(19(27)28-11-12-3-5-13(6-4-12)17(21)26)25-23-18(22-24-25)14-7-9-15(20)10-8-14/h3-10,16H,2,11H2,1H3,(H2,21,26)/t16-/m1/s1
InChIKeyIWSKCXPTWDEJMS-MRXNPFEDSA-N
XLogP2.79
TPSA112.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide
CID 112827487
(7-methyl-2-oxochromen-4-yl)methyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate
CID 55441220
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide
CID 134022286
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 24676066
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate
CID 55441302
N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
CID 51246951
[2-(4-cyanoanilino)-2-oxoethyl] (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate
CID 51559315
3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoic acid
CID 119176861
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one
CID 112809604
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide
CID 51253386
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
CID 134023226
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)butanamide
CID 55434010

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate?
The IUPAC name of (4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate (CID 26971559) is (4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate.
What is the SMILES notation for (4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate?
The canonical SMILES for (4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate is CC[C@H](C(=O)OCc1ccc(C(N)=O)cc1)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of (4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate?
The InChIKey is IWSKCXPTWDEJMS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c1-2-16(19(27)28-11-12-3-5-13(6-4-12)17(21)26)25-23-18(22-24-25)14-7-9-15(20)10-8-14/h3-10,16H,2,11H2,1H3,(H2,21,26)/t16-/m1/s1.
What are the key properties of (4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate?
(4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate has a molecular weight of 399.84 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate is sourced from PubChem (CID 26971559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).