N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide

C17H19ClN2O2 — CID 54829967

IUPACN-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O2/c1-12(2)22-16-5-3-4-15(10-16)19-11-17(21)20-14-8-6-13(18)7-9-14/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyUKDNMCIWVLAUSU-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.18
Rot. Bonds6

About N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide

N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide (PubChem CID 54829967) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
PubChem CID54829967
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O2/c1-12(2)22-16-5-3-4-15(10-16)19-11-17(21)20-14-8-6-13(18)7-9-14/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyUKDNMCIWVLAUSU-UHFFFAOYSA-N
XLogP4.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54836962
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279
2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54829901
N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830208
2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54810243
N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide
CID 59857971
N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827734

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide (CID 54829967) is N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide is CC(C)Oc1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide?
The InChIKey is UKDNMCIWVLAUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12(2)22-16-5-3-4-15(10-16)19-11-17(21)20-14-8-6-13(18)7-9-14/h3-10,12,19H,11H2,1-2H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide?
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide has a molecular weight of 318.80 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 54829967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).