3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide

C22H28Cl2N4O2 — CID 42747665

IUPAC3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1N(C)C
InChIInChI=1S/C22H28Cl2N4O2/c1-5-28(6-2)12-11-25-22(30)17-14-16(8-10-20(17)27(3)4)26-21(29)15-7-9-18(23)19(24)13-15/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,30)(H,26,29)
InChIKeyHEEYNZHSDDXTLR-UHFFFAOYSA-N
MW451.40 g/mol
LogP4.38
Rot. Bonds9

About 3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide

3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide (PubChem CID 42747665) has the molecular formula C22H28Cl2N4O2 and a molecular weight of 451.40 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide
PubChem CID42747665
Molecular FormulaC22H28Cl2N4O2
Molecular Weight451.40 g/mol
Exact Mass450.16
IUPAC Name3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1N(C)C
InChIInChI=1S/C22H28Cl2N4O2/c1-5-28(6-2)12-11-25-22(30)17-14-16(8-10-20(17)27(3)4)26-21(29)15-7-9-18(23)19(24)13-15/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,30)(H,26,29)
InChIKeyHEEYNZHSDDXTLR-UHFFFAOYSA-N
XLogP4.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide
CID 3391950
N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]-4-methyl-3-nitrobenzamide
CID 42747675
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747663
3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 5204790
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
CID 3883285
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 42659109
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42660921
2-(dimethylamino)-N-(2-methoxyethyl)-5-[(4-methylbenzoyl)amino]benzamide
CID 4036231

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide (CID 42747665) is 3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide is CCN(CC)CCNC(=O)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1N(C)C.
What is the InChIKey of 3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide?
The InChIKey is HEEYNZHSDDXTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N4O2/c1-5-28(6-2)12-11-25-22(30)17-14-16(8-10-20(17)27(3)4)26-21(29)15-7-9-18(23)19(24)13-15/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,30)(H,26,29).
What are the key properties of 3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide?
3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide has a molecular weight of 451.40 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 42747665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).