N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide

C19H20ClN5O — CID 25051158

IUPACN-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1ncnc1-c1ccc(C(=O)N[C@@H](CN)Cc2ccccc2)cc1Cl
InChIInChI=1S/C19H20ClN5O/c1-25-18(22-12-23-25)16-8-7-14(10-17(16)20)19(26)24-15(11-21)9-13-5-3-2-4-6-13/h2-8,10,12,15H,9,11,21H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyDTJYCHQXIFCHPA-OAHLLOKOSA-N
MW369.86 g/mol
LogP2.44
Rot. Bonds6

About N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide

N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 25051158) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID25051158
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC NameN-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1ncnc1-c1ccc(C(=O)N[C@@H](CN)Cc2ccccc2)cc1Cl
InChIInChI=1S/C19H20ClN5O/c1-25-18(22-12-23-25)16-8-7-14(10-17(16)20)19(26)24-15(11-21)9-13-5-3-2-4-6-13/h2-8,10,12,15H,9,11,21H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyDTJYCHQXIFCHPA-OAHLLOKOSA-N
XLogP2.44
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide
CID 25050807
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CID 25050634
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 59355000
N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide
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N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
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CID 71072671
4-bromo-3-chloro-N-(1-chloro-3-phenylpropan-2-yl)benzamide
CID 114300309
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 82877236
3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860609

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide (CID 25051158) is N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide is Cn1ncnc1-c1ccc(C(=O)N[C@@H](CN)Cc2ccccc2)cc1Cl.
What is the InChIKey of N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is DTJYCHQXIFCHPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-25-18(22-12-23-25)16-8-7-14(10-17(16)20)19(26)24-15(11-21)9-13-5-3-2-4-6-13/h2-8,10,12,15H,9,11,21H2,1H3,(H,24,26)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide?
N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 369.86 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 25051158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).