5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide

C14H18ClN5O — CID 64523585

IUPAC5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C14H18ClN5O/c1-2-16-12-6-5-10(15)8-11(12)14(21)17-7-3-4-13-18-9-19-20-13/h5-6,8-9,16H,2-4,7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyOUQPBKGETDQIGF-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.25
Rot. Bonds7

About 5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide

5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide (PubChem CID 64523585) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
PubChem CID64523585
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C14H18ClN5O/c1-2-16-12-6-5-10(15)8-11(12)14(21)17-7-3-4-13-18-9-19-20-13/h5-6,8-9,16H,2-4,7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyOUQPBKGETDQIGF-UHFFFAOYSA-N
XLogP2.25
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 115532376
3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide
CID 105070362
2-chloro-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 106491058
5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide
CID 103529986
5-chloro-2-(ethylamino)-N-(2-pyridin-2-ylethyl)benzamide
CID 62171740
3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641
2,3,4,5-tetrafluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547700
5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide
CID 103529977
5,6-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64547910
2-amino-4,5-difluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518550
5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 91652973
2-bromo-5-fluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64545931

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide (CID 64523585) is 5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide is CCNc1ccc(Cl)cc1C(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide?
The InChIKey is OUQPBKGETDQIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-2-16-12-6-5-10(15)8-11(12)14(21)17-7-3-4-13-18-9-19-20-13/h5-6,8-9,16H,2-4,7H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide?
5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide has a molecular weight of 307.79 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide is sourced from PubChem (CID 64523585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).