4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide

C14H16ClN5O — CID 63309384

IUPAC4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
SMILESO=C(CCCCl)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C14H16ClN5O/c15-8-2-5-13(21)16-11-4-1-3-10(9-11)14-17-18-19-20(14)12-6-7-12/h1,3-4,9,12H,2,5-8H2,(H,16,21)
InChIKeyADCVNAMZWATAOB-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.63
Rot. Bonds6

About 4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide

4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide (PubChem CID 63309384) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
PubChem CID63309384
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
SMILESO=C(CCCCl)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C14H16ClN5O/c15-8-2-5-13(21)16-11-4-1-3-10(9-11)14-17-18-19-20(14)12-6-7-12/h1,3-4,9,12H,2,5-8H2,(H,16,21)
InChIKeyADCVNAMZWATAOB-UHFFFAOYSA-N
XLogP2.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide
CID 24590710
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 24590707
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluorophenoxy)propanamide
CID 39675295
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 41293386
N-[4-[3-(1-cyclopropyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 17496031
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 41181805
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 41181268
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide
CID 24590746
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide
CID 55500726

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide?
The IUPAC name of 4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide (CID 63309384) is 4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide?
The canonical SMILES for 4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide is O=C(CCCCl)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of 4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide?
The InChIKey is ADCVNAMZWATAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-8-2-5-13(21)16-11-4-1-3-10(9-11)14-17-18-19-20(14)12-6-7-12/h1,3-4,9,12H,2,5-8H2,(H,16,21).
What are the key properties of 4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide?
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide has a molecular weight of 305.77 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 63309384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).