1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone

C14H18ClNO — CID 43795533

IUPAC1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone
SMILESCCCN(CC(=O)c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C14H18ClNO/c1-2-8-16(13-6-7-13)10-14(17)11-4-3-5-12(15)9-11/h3-5,9,13H,2,6-8,10H2,1H3
InChIKeyZFUSZICEZJINAK-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.40
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone

1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone (PubChem CID 43795533) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone
PubChem CID43795533
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone
SMILESCCCN(CC(=O)c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C14H18ClNO/c1-2-8-16(13-6-7-13)10-14(17)11-4-3-5-12(15)9-11/h3-5,9,13H,2,6-8,10H2,1H3
InChIKeyZFUSZICEZJINAK-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone
CID 60679704
2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone
CID 43795468
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62030145
1-phenyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62031069
2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 43795478
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794974
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
3-chloro-N,N-dipropylbenzamide
CID 669182
2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone
CID 78974150
2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 43795464
2-(N-butylanilino)-1-(3-chlorophenyl)ethanone
CID 64585605
1-(3-bromophenyl)-2-[cyclopropyl(2-methylpropyl)amino]ethanone
CID 55001694

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone (CID 43795533) is 1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone is CCCN(CC(=O)c1cccc(Cl)c1)C1CC1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone?
The InChIKey is ZFUSZICEZJINAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-2-8-16(13-6-7-13)10-14(17)11-4-3-5-12(15)9-11/h3-5,9,13H,2,6-8,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone?
1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone has a molecular weight of 251.76 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone is sourced from PubChem (CID 43795533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).