N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide

C12H14ClN5O — CID 115743018

IUPACN-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2cnnn2C)cc1Cl
InChIInChI=1S/C12H14ClN5O/c1-8(19)16-12-4-3-9(5-11(12)13)14-6-10-7-15-17-18(10)2/h3-5,7,14H,6H2,1-2H3,(H,16,19)
InChIKeyDQJRYFAXXDJTTF-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.04
Rot. Bonds4

About N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide

N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide (PubChem CID 115743018) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide
PubChem CID115743018
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC NameN-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2cnnn2C)cc1Cl
InChIInChI=1S/C12H14ClN5O/c1-8(19)16-12-4-3-9(5-11(12)13)14-6-10-7-15-17-18(10)2/h3-5,7,14H,6H2,1-2H3,(H,16,19)
InChIKeyDQJRYFAXXDJTTF-UHFFFAOYSA-N
XLogP2.04
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide
CID 115682692
1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 115682421
N-[4-(benzylamino)-3-chlorophenyl]-3-methyltriazole-4-carboxamide
CID 136540023
N-[2-chloro-4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43690205
N-[2-chloro-4-[(5-methylfuran-2-yl)methylamino]phenyl]acetamide
CID 43690180
N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43690141
N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
CID 43690236
N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide
CID 43690201
N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide
CID 115556688
N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 103817850
N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide
CID 115904078
N-[2-chloro-4-(hexylamino)phenyl]acetamide
CID 43690140

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide (CID 115743018) is N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide is CC(=O)Nc1ccc(NCc2cnnn2C)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide?
The InChIKey is DQJRYFAXXDJTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-8(19)16-12-4-3-9(5-11(12)13)14-6-10-7-15-17-18(10)2/h3-5,7,14H,6H2,1-2H3,(H,16,19).
What are the key properties of N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide?
N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide has a molecular weight of 279.73 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 115743018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).