2-(N-butylanilino)-1-(3-chlorophenyl)ethanone

C18H20ClNO — CID 64585605

IUPAC2-(N-butylanilino)-1-(3-chlorophenyl)ethanone
SMILESCCCCN(CC(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-2-3-12-20(17-10-5-4-6-11-17)14-18(21)15-8-7-9-16(19)13-15/h4-11,13H,2-3,12,14H2,1H3
InChIKeyGHMNQJNBSBTXBT-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.83
Rot. Bonds7

About 2-(N-butylanilino)-1-(3-chlorophenyl)ethanone

2-(N-butylanilino)-1-(3-chlorophenyl)ethanone (PubChem CID 64585605) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(N-butylanilino)-1-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(N-butylanilino)-1-(3-chlorophenyl)ethanone
PubChem CID64585605
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-(N-butylanilino)-1-(3-chlorophenyl)ethanone
SMILESCCCCN(CC(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-2-3-12-20(17-10-5-4-6-11-17)14-18(21)15-8-7-9-16(19)13-15/h4-11,13H,2-3,12,14H2,1H3
InChIKeyGHMNQJNBSBTXBT-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 64584824
2-(N-ethylanilino)-1-(3-fluorophenyl)ethanone
CID 43227492
N-butyl-3-chloro-N-phenylaniline
CID 23348476
1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone
CID 43795533
2-[3-chloro-N-[3-(dimethylamino)propyl]anilino]acetic acid
CID 114525879
1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone
CID 60679704
2-(4-chloro-N-pentylanilino)acetic acid
CID 60834965
N,N-dibutylaniline;perchloric acid
CID 71443116
2-butylsulfonyl-1-(3-chlorophenyl)ethanone
CID 64635960
1-(3-chlorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62029774
3-chloro-N,N-dipropylbenzamide
CID 669182

Frequently Asked Questions

What is the IUPAC name of 2-(N-butylanilino)-1-(3-chlorophenyl)ethanone?
The IUPAC name of 2-(N-butylanilino)-1-(3-chlorophenyl)ethanone (CID 64585605) is 2-(N-butylanilino)-1-(3-chlorophenyl)ethanone.
What is the SMILES notation for 2-(N-butylanilino)-1-(3-chlorophenyl)ethanone?
The canonical SMILES for 2-(N-butylanilino)-1-(3-chlorophenyl)ethanone is CCCCN(CC(=O)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(N-butylanilino)-1-(3-chlorophenyl)ethanone?
The InChIKey is GHMNQJNBSBTXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-2-3-12-20(17-10-5-4-6-11-17)14-18(21)15-8-7-9-16(19)13-15/h4-11,13H,2-3,12,14H2,1H3.
What are the key properties of 2-(N-butylanilino)-1-(3-chlorophenyl)ethanone?
2-(N-butylanilino)-1-(3-chlorophenyl)ethanone has a molecular weight of 301.82 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-butylanilino)-1-(3-chlorophenyl)ethanone is sourced from PubChem (CID 64585605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).