N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide

C19H20ClN3O — CID 9131592

IUPACN-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1
InChIInChI=1S/C19H20ClN3O/c1-13(2)19(14-6-4-3-5-7-14)22-12-18(24)23-17-10-16(20)9-8-15(17)11-21/h3-10,13,19,22H,12H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyKMBHDMSNXIOOTN-LJQANCHMSA-N
MW341.84 g/mol
LogP4.14
Rot. Bonds6

About N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide

N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide (PubChem CID 9131592) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
PubChem CID9131592
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1
InChIInChI=1S/C19H20ClN3O/c1-13(2)19(14-6-4-3-5-7-14)22-12-18(24)23-17-10-16(20)9-8-15(17)11-21/h3-10,13,19,22H,12H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyKMBHDMSNXIOOTN-LJQANCHMSA-N
XLogP4.14
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684093
N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8922928
N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253982
N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133316
N-(5-chloro-2-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 54920661
N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131471
N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 87029057
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
N-(2,3-dichlorophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131743
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide
CID 41378344

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide (CID 9131592) is N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide is CC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The InChIKey is KMBHDMSNXIOOTN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-13(2)19(14-6-4-3-5-7-14)22-12-18(24)23-17-10-16(20)9-8-15(17)11-21/h3-10,13,19,22H,12H2,1-2H3,(H,23,24)/t19-/m1/s1.
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide has a molecular weight of 341.84 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide is sourced from PubChem (CID 9131592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).