5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide

C19H22Cl2N4O2 — CID 4563439

IUPAC5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)ccc1N(C)C
InChIInChI=1S/C19H22Cl2N4O2/c1-4-10-22-18(26)13-11-12(8-9-16(13)25(2)3)23-19(27)24-15-7-5-6-14(20)17(15)21/h5-9,11H,4,10H2,1-3H3,(H,22,26)(H2,23,24,27)
InChIKeyRFFQYGWHYCCWBK-UHFFFAOYSA-N
MW409.32 g/mol
LogP4.84
Rot. Bonds6

About 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide

5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide (PubChem CID 4563439) has the molecular formula C19H22Cl2N4O2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide.

Molecular Properties

Compound Name5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
PubChem CID4563439
Molecular FormulaC19H22Cl2N4O2
Molecular Weight409.32 g/mol
Exact Mass408.11
IUPAC Name5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)ccc1N(C)C
InChIInChI=1S/C19H22Cl2N4O2/c1-4-10-22-18(26)13-11-12(8-9-16(13)25(2)3)23-19(27)24-15-7-5-6-14(20)17(15)21/h5-9,11H,4,10H2,1-3H3,(H,22,26)(H2,23,24,27)
InChIKeyRFFQYGWHYCCWBK-UHFFFAOYSA-N
XLogP4.84
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide
CID 4002213
2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide
CID 3417510
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
CID 3459744
5-[(3-cyanophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 3950818
2-(dimethylamino)-N-propyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42659116
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide
CID 3391950
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide
CID 42747988
2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide
CID 42747373
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
CID 3883285

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide?
The IUPAC name of 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide (CID 4563439) is 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide.
What is the SMILES notation for 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide?
The canonical SMILES for 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)ccc1N(C)C.
What is the InChIKey of 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide?
The InChIKey is RFFQYGWHYCCWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2/c1-4-10-22-18(26)13-11-12(8-9-16(13)25(2)3)23-19(27)24-15-7-5-6-14(20)17(15)21/h5-9,11H,4,10H2,1-3H3,(H,22,26)(H2,23,24,27).
What are the key properties of 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide?
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide has a molecular weight of 409.32 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide is sourced from PubChem (CID 4563439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).