N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide

C19H19ClN4O — CID 99929107

IUPACN-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCn1cnnc1CCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O/c1-24-13-21-23-17(24)11-12-18(25)22-19(14-5-3-2-4-6-14)15-7-9-16(20)10-8-15/h2-10,13,19H,11-12H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyLVWPOUNSDJIGSC-LJQANCHMSA-N
MW354.84 g/mol
LogP3.31
Rot. Bonds6

About N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide

N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 99929107) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
PubChem CID99929107
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCn1cnnc1CCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O/c1-24-13-21-23-17(24)11-12-18(25)22-19(14-5-3-2-4-6-14)15-7-9-16(20)10-8-15/h2-10,13,19H,11-12H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyLVWPOUNSDJIGSC-LJQANCHMSA-N
XLogP3.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 99929121
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87026855
N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide
CID 39676655
N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 46414369
N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55824272
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 52500131
N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134035164
3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide
CID 126431719
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125169907
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 60579990
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (CID 99929107) is N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is Cn1cnnc1CCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is LVWPOUNSDJIGSC-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-24-13-21-23-17(24)11-12-18(25)22-19(14-5-3-2-4-6-14)15-7-9-16(20)10-8-15/h2-10,13,19H,11-12H2,1H3,(H,22,25)/t19-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 354.84 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 99929107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).