1-[3-chloro-5-(ethylamino)phenyl]ethanone

C10H12ClNO — CID 82535671

IUPAC1-[3-chloro-5-(ethylamino)phenyl]ethanone
SMILESCCNc1cc(Cl)cc(C(C)=O)c1
InChIInChI=1S/C10H12ClNO/c1-3-12-10-5-8(7(2)13)4-9(11)6-10/h4-6,12H,3H2,1-2H3
InChIKeyGBWPTOPRBKWUCE-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.97
Rot. Bonds3

About 1-[3-chloro-5-(ethylamino)phenyl]ethanone

1-[3-chloro-5-(ethylamino)phenyl]ethanone (PubChem CID 82535671) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-[3-chloro-5-(ethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-5-(ethylamino)phenyl]ethanone
PubChem CID82535671
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name1-[3-chloro-5-(ethylamino)phenyl]ethanone
SMILESCCNc1cc(Cl)cc(C(C)=O)c1
InChIInChI=1S/C10H12ClNO/c1-3-12-10-5-8(7(2)13)4-9(11)6-10/h4-6,12H,3H2,1-2H3
InChIKeyGBWPTOPRBKWUCE-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-5-(2-methoxyethylamino)phenyl]ethanone
CID 82535651
1-[3-(ethylamino)-5-fluorophenyl]ethanone
CID 82535672
1-[3-acetyl-5-(ethylamino)phenyl]-2-methylpropan-1-one;ethane
CID 142455262
1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone
CID 139706215
methyl 3-acetyl-5-chlorobenzoate
CID 69166843
N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide
CID 109041022
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
2,6-dichloro-4-(ethylamino)phenol
CID 82550826
1-[3-chloro-5-[1-(4-methoxyphenyl)ethylamino]phenyl]ethanone
CID 110453014
3-chloro-5-(propylsulfonylamino)benzoyl chloride
CID 164939013
1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone
CID 91437039
methyl 3-(ethylamino)-5-methylbenzoate
CID 58789800

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(ethylamino)phenyl]ethanone?
The IUPAC name of 1-[3-chloro-5-(ethylamino)phenyl]ethanone (CID 82535671) is 1-[3-chloro-5-(ethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-5-(ethylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-5-(ethylamino)phenyl]ethanone is CCNc1cc(Cl)cc(C(C)=O)c1.
What is the InChIKey of 1-[3-chloro-5-(ethylamino)phenyl]ethanone?
The InChIKey is GBWPTOPRBKWUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-3-12-10-5-8(7(2)13)4-9(11)6-10/h4-6,12H,3H2,1-2H3.
What are the key properties of 1-[3-chloro-5-(ethylamino)phenyl]ethanone?
1-[3-chloro-5-(ethylamino)phenyl]ethanone has a molecular weight of 197.66 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(ethylamino)phenyl]ethanone is sourced from PubChem (CID 82535671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).