N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide

C23H21Cl2FN2O — CID 26249409

IUPACN-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)c1Cl
InChIInChI=1S/C23H21Cl2FN2O/c1-15-8-13-19(24)22(21(15)25)27-20(29)14-28(2)23(16-6-4-3-5-7-16)17-9-11-18(26)12-10-17/h3-13,23H,14H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyVQWMAANBKGCQNG-HSZRJFAPSA-N
MW431.34 g/mol
LogP6.10
Rot. Bonds6

About N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide

N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide (PubChem CID 26249409) has the molecular formula C23H21Cl2FN2O and a molecular weight of 431.34 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
PubChem CID26249409
Molecular FormulaC23H21Cl2FN2O
Molecular Weight431.34 g/mol
Exact Mass430.10
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)c1Cl
InChIInChI=1S/C23H21Cl2FN2O/c1-15-8-13-19(24)22(21(15)25)27-20(29)14-28(2)23(16-6-4-3-5-7-16)17-9-11-18(26)12-10-17/h3-13,23H,14H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyVQWMAANBKGCQNG-HSZRJFAPSA-N
XLogP6.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.34
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 16609246
2-[benzhydryl(methyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 8730143
N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 16609224
2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 16962341
2-[benzhydryl(methyl)amino]-N-phenylacetamide
CID 8730173
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
2-[[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61007558
N-(2,6-dichloro-3-methylphenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
CID 17398359
3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 24588780
N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
CID 60628486
N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 78840619
2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 43248918

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide (CID 26249409) is N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide is Cc1ccc(Cl)c(NC(=O)CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide?
The InChIKey is VQWMAANBKGCQNG-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O/c1-15-8-13-19(24)22(21(15)25)27-20(29)14-28(2)23(16-6-4-3-5-7-16)17-9-11-18(26)12-10-17/h3-13,23H,14H2,1-2H3,(H,27,29)/t23-/m1/s1.
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide?
N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide has a molecular weight of 431.34 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide is sourced from PubChem (CID 26249409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).