3-chloro-N-[2-(3-propylanilino)ethyl]benzamide

C18H21ClN2O — CID 118156784

IUPAC3-chloro-N-[2-(3-propylanilino)ethyl]benzamide
SMILESCCCc1cccc(NCCNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O/c1-2-5-14-6-3-9-17(12-14)20-10-11-21-18(22)15-7-4-8-16(19)13-15/h3-4,6-9,12-13,20H,2,5,10-11H2,1H3,(H,21,22)
InChIKeyRJKRTZSNSXOAMQ-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.13
Rot. Bonds7

About 3-chloro-N-[2-(3-propylanilino)ethyl]benzamide

3-chloro-N-[2-(3-propylanilino)ethyl]benzamide (PubChem CID 118156784) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-chloro-N-[2-(3-propylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3-propylanilino)ethyl]benzamide
PubChem CID118156784
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-chloro-N-[2-(3-propylanilino)ethyl]benzamide
SMILESCCCc1cccc(NCCNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O/c1-2-5-14-6-3-9-17(12-14)20-10-11-21-18(22)15-7-4-8-16(19)13-15/h3-4,6-9,12-13,20H,2,5,10-11H2,1H3,(H,21,22)
InChIKeyRJKRTZSNSXOAMQ-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 18114724
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109224617
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17195208
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3-propylanilino)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(3-propylanilino)ethyl]benzamide (CID 118156784) is 3-chloro-N-[2-(3-propylanilino)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(3-propylanilino)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(3-propylanilino)ethyl]benzamide is CCCc1cccc(NCCNC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[2-(3-propylanilino)ethyl]benzamide?
The InChIKey is RJKRTZSNSXOAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-2-5-14-6-3-9-17(12-14)20-10-11-21-18(22)15-7-4-8-16(19)13-15/h3-4,6-9,12-13,20H,2,5,10-11H2,1H3,(H,21,22).
What are the key properties of 3-chloro-N-[2-(3-propylanilino)ethyl]benzamide?
3-chloro-N-[2-(3-propylanilino)ethyl]benzamide has a molecular weight of 316.83 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3-propylanilino)ethyl]benzamide is sourced from PubChem (CID 118156784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).