2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide

C19H21ClN6O — CID 43033026

IUPAC2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
SMILESCN(CCCNC(=O)Cn1nnc(-c2cccc(Cl)c2)n1)c1ccccc1
InChIInChI=1S/C19H21ClN6O/c1-25(17-9-3-2-4-10-17)12-6-11-21-18(27)14-26-23-19(22-24-26)15-7-5-8-16(20)13-15/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,21,27)
InChIKeyBJGYRISRNSCYRY-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.64
Rot. Bonds8

About 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide

2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide (PubChem CID 43033026) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
PubChem CID43033026
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC Name2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
SMILESCN(CCCNC(=O)Cn1nnc(-c2cccc(Cl)c2)n1)c1ccccc1
InChIInChI=1S/C19H21ClN6O/c1-25(17-9-3-2-4-10-17)12-6-11-21-18(27)14-26-23-19(22-24-26)15-7-5-8-16(20)13-15/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,21,27)
InChIKeyBJGYRISRNSCYRY-UHFFFAOYSA-N
XLogP2.64
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.64
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

2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7490582
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9487356
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7490847
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 112775878
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7490784
N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide
CID 7490632
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide
CID 36657700
N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 17478597
ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490658
2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]prop-2-enoic acid
CID 144719815
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
methyl (2S)-2-[(2-iodoacetyl)amino]-6-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]hexanoate
CID 156529829

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide?
The IUPAC name of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide (CID 43033026) is 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide.
What is the SMILES notation for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide?
The canonical SMILES for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide is CN(CCCNC(=O)Cn1nnc(-c2cccc(Cl)c2)n1)c1ccccc1.
What is the InChIKey of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide?
The InChIKey is BJGYRISRNSCYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O/c1-25(17-9-3-2-4-10-17)12-6-11-21-18(27)14-26-23-19(22-24-26)15-7-5-8-16(20)13-15/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,21,27).
What are the key properties of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide?
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide has a molecular weight of 384.87 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide is sourced from PubChem (CID 43033026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).