N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide

C21H18ClN5O — CID 5275113

IUPACN-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide
SMILESO=C(CCCc1nnnn1-c1cccc2ccccc12)Nc1ccccc1Cl
InChIInChI=1S/C21H18ClN5O/c22-17-10-3-4-11-18(17)23-21(28)14-6-13-20-24-25-26-27(20)19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-12H,6,13-14H2,(H,23,28)
InChIKeyXCPSNPCPILZSSC-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.43
Rot. Bonds6

About N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide

N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide (PubChem CID 5275113) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide
PubChem CID5275113
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC NameN-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide
SMILESO=C(CCCc1nnnn1-c1cccc2ccccc12)Nc1ccccc1Cl
InChIInChI=1S/C21H18ClN5O/c22-17-10-3-4-11-18(17)23-21(28)14-6-13-20-24-25-26-27(20)19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-12H,6,13-14H2,(H,23,28)
InChIKeyXCPSNPCPILZSSC-UHFFFAOYSA-N
XLogP4.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide
CID 41402404
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-(2-chlorophenyl)hexanamide
CID 4644560
N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide
CID 48980503
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide
CID 5275084
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 71588654
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387870
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-phenylacetamide
CID 2265468
N-(2-chlorophenyl)octanamide
CID 2292983
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide?
The IUPAC name of N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide (CID 5275113) is N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide is O=C(CCCc1nnnn1-c1cccc2ccccc12)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide?
The InChIKey is XCPSNPCPILZSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c22-17-10-3-4-11-18(17)23-21(28)14-6-13-20-24-25-26-27(20)19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-12H,6,13-14H2,(H,23,28).
What are the key properties of N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide?
N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide has a molecular weight of 391.86 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide is sourced from PubChem (CID 5275113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).