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

C10H10ClN5O — CID 43698693

IUPAC2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
SMILESCC(Cl)C(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C10H10ClN5O/c1-7(11)10(17)13-8-4-2-3-5-9(8)16-6-12-14-15-16/h2-7H,1H3,(H,13,17)
InChIKeyKCMLTUXQZTVQIX-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.23
Rot. Bonds3

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

2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 43698693) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
PubChem CID43698693
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
SMILESCC(Cl)C(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C10H10ClN5O/c1-7(11)10(17)13-8-4-2-3-5-9(8)16-6-12-14-15-16/h2-7H,1H3,(H,13,17)
InChIKeyKCMLTUXQZTVQIX-UHFFFAOYSA-N
XLogP1.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.23
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

(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55110809
(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 61180779
2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
CID 107144063
3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 115426234
5-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 82011021
[2-(tetrazol-1-yl)phenyl]thiourea
CID 169356429
3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55121620
5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
CID 107371883
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 79789723
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide (CID 43698693) is 2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide is CC(Cl)C(=O)Nc1ccccc1-n1cnnn1.
What is the InChIKey of 2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is KCMLTUXQZTVQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-7(11)10(17)13-8-4-2-3-5-9(8)16-6-12-14-15-16/h2-7H,1H3,(H,13,17).
What are the key properties of 2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide?
2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 251.68 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 43698693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).