(2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide

C14H17Cl2N5O2 — CID 7368682

IUPAC(2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCCCCn1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H17Cl2N5O2/c1-3-4-7-21-19-14(18-20-21)17-13(22)9(2)23-12-6-5-10(15)8-11(12)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,19,22)/t9-/m1/s1
InChIKeyGVNHSLXGHDKBJA-SECBINFHSA-N
MW358.23 g/mol
LogP3.19
Rot. Bonds7

About (2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide

(2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 7368682) has the molecular formula C14H17Cl2N5O2 and a molecular weight of 358.23 g/mol. Its IUPAC name is (2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide
PubChem CID7368682
Molecular FormulaC14H17Cl2N5O2
Molecular Weight358.23 g/mol
Exact Mass357.08
IUPAC Name(2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCCCCn1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H17Cl2N5O2/c1-3-4-7-21-19-14(18-20-21)17-13(22)9(2)23-12-6-5-10(15)8-11(12)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,19,22)/t9-/m1/s1
InChIKeyGVNHSLXGHDKBJA-SECBINFHSA-N
XLogP3.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
CID 4098989
2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide
CID 141112918
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4951504
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide
CID 1094229
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]-2-(2,4-dichlorophenoxy)propanamide
CID 5175544

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of (2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide (CID 7368682) is (2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide is CCCCn1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of (2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is GVNHSLXGHDKBJA-SECBINFHSA-N. The full InChI is InChI=1S/C14H17Cl2N5O2/c1-3-4-7-21-19-14(18-20-21)17-13(22)9(2)23-12-6-5-10(15)8-11(12)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,19,22)/t9-/m1/s1.
What are the key properties of (2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide?
(2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 358.23 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-butyltetrazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 7368682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).