N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide

C14H18ClN5O2 — CID 60581267

IUPACN-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)Nc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C14H18ClN5O2/c1-10(2)8-22-6-5-14(21)17-13-7-11(3-4-12(13)15)20-9-16-18-19-20/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,21)
InChIKeyYOIALENBUXRDEX-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.32
Rot. Bonds7

About N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide

N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide (PubChem CID 60581267) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide
PubChem CID60581267
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)Nc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C14H18ClN5O2/c1-10(2)8-22-6-5-14(21)17-13-7-11(3-4-12(13)15)20-9-16-18-19-20/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,21)
InChIKeyYOIALENBUXRDEX-UHFFFAOYSA-N
XLogP2.32
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide
CID 62838819
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196426
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[[2-(2-methylpropyl)phenyl]methylsulfanyl]acetamide
CID 167981321
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 50777011
(2S)-2-amino-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 61178561
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide
CID 103514936
3-chloro-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63679222
2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
CID 55086376
(2S)-2-amino-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 61178741
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 50777053
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide (CID 60581267) is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide is CC(C)COCCC(=O)Nc1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide?
The InChIKey is YOIALENBUXRDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O2/c1-10(2)8-22-6-5-14(21)17-13-7-11(3-4-12(13)15)20-9-16-18-19-20/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,17,21).
What are the key properties of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide?
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide has a molecular weight of 323.78 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 60581267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).