N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide

C16H18ClN3O — CID 81395668

IUPACN-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1cccnc1
InChIInChI=1S/C16H18ClN3O/c1-11-5-6-14(17)8-15(11)20-16(21)10-19-12(2)13-4-3-7-18-9-13/h3-9,12,19H,10H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyBRQHUFUHKKOSOW-LBPRGKRZSA-N
MW303.79 g/mol
LogP3.33
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide (PubChem CID 81395668) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
PubChem CID81395668
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1cccnc1
InChIInChI=1S/C16H18ClN3O/c1-11-5-6-14(17)8-15(11)20-16(21)10-19-12(2)13-4-3-7-18-9-13/h3-9,12,19H,10H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyBRQHUFUHKKOSOW-LBPRGKRZSA-N
XLogP3.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81396572
N-(5-chloro-2-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306731
N-(2-chloro-4-methylphenyl)-3-(1-pyridin-3-ylethylamino)propanamide
CID 75515340
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide
CID 8599257
N-(4-fluorophenyl)-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404886
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 104853862
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9335626
[2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 1088766
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 84897745
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9331511
N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 104696419
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide (CID 81395668) is N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide is Cc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1cccnc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
The InChIKey is BRQHUFUHKKOSOW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-5-6-14(17)8-15(11)20-16(21)10-19-12(2)13-4-3-7-18-9-13/h3-9,12,19H,10H2,1-2H3,(H,20,21)/t12-/m0/s1.
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide is sourced from PubChem (CID 81395668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).