5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide

C22H29Cl2N5O2 — CID 3391950

IUPAC5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N(C)C
InChIInChI=1S/C22H29Cl2N5O2/c1-5-29(6-2)12-11-25-21(30)17-13-15(8-10-20(17)28(3)4)26-22(31)27-16-7-9-18(23)19(24)14-16/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,30)(H2,26,27,31)
InChIKeySIVCBGVJSRLSSS-UHFFFAOYSA-N
MW466.41 g/mol
LogP4.78
Rot. Bonds9

About 5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide

5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide (PubChem CID 3391950) has the molecular formula C22H29Cl2N5O2 and a molecular weight of 466.41 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide
PubChem CID3391950
Molecular FormulaC22H29Cl2N5O2
Molecular Weight466.41 g/mol
Exact Mass465.17
IUPAC Name5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N(C)C
InChIInChI=1S/C22H29Cl2N5O2/c1-5-29(6-2)12-11-25-21(30)17-13-15(8-10-20(17)28(3)4)26-22(31)27-16-7-9-18(23)19(24)14-16/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,30)(H2,26,27,31)
InChIKeySIVCBGVJSRLSSS-UHFFFAOYSA-N
XLogP4.78
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.41
LogP ≤ 54.78
H-Bond Donors ≤ 53
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

3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide
CID 42747665
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 42659109
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42660921
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
CID 3883285
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747663
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 4563439
2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide
CID 3417510
N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]-4-methyl-3-nitrobenzamide
CID 42747675
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
N-benzyl-5-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-(dimethylamino)benzamide
CID 42659105

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide?
The IUPAC name of 5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide (CID 3391950) is 5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide?
The canonical SMILES for 5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide is CCN(CC)CCNC(=O)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N(C)C.
What is the InChIKey of 5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide?
The InChIKey is SIVCBGVJSRLSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2N5O2/c1-5-29(6-2)12-11-25-21(30)17-13-15(8-10-20(17)28(3)4)26-22(31)27-16-7-9-18(23)19(24)14-16/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,30)(H2,26,27,31).
What are the key properties of 5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide?
5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide has a molecular weight of 466.41 g/mol, XLogP of 4.78, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide is sourced from PubChem (CID 3391950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).