N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide

C14H20ClNO — CID 167302174

IUPACN-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(C)C)c(Cl)cc1C(C)C
InChIInChI=1S/C14H20ClNO/c1-8(2)11-7-14(16-10(5)17)12(9(3)4)6-13(11)15/h6-9H,1-5H3,(H,16,17)
InChIKeyBVZJGGDJMMTPAN-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.55
Rot. Bonds3

About N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide

N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide (PubChem CID 167302174) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide
PubChem CID167302174
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(C)C)c(Cl)cc1C(C)C
InChIInChI=1S/C14H20ClNO/c1-8(2)11-7-14(16-10(5)17)12(9(3)4)6-13(11)15/h6-9H,1-5H3,(H,16,17)
InChIKeyBVZJGGDJMMTPAN-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-acetamido-4-propan-2-ylbenzoate
CID 100666592
N-(4-chloro-1H-pyrrol-3-yl)acetamide
CID 118026096
N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane
CID 145387733
1-(4-chloro-3-propan-2-ylphenyl)ethanone
CID 58358949
4-acetamido-5-methyl-2-propan-2-ylbenzenesulfonate
CID 177277130
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
N-(4-chloro-2-propan-2-ylphenyl)acetamide;N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate
CID 159969843
1-(4-chloro-3-propan-2-ylphenyl)propan-2-one
CID 157171758
N-[4-(bromomethyl)-2-chloro-5-ethoxyphenyl]acetamide
CID 156782356
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide
CID 168959540
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide (CID 167302174) is N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide is CC(=O)Nc1cc(C(C)C)c(Cl)cc1C(C)C.
What is the InChIKey of N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide?
The InChIKey is BVZJGGDJMMTPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-8(2)11-7-14(16-10(5)17)12(9(3)4)6-13(11)15/h6-9H,1-5H3,(H,16,17).
What are the key properties of N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide?
N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide has a molecular weight of 253.77 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2,5-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 167302174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).