5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide

C20H24Cl2N4O2 — CID 42659109

IUPAC5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N(C)C
InChIInChI=1S/C20H24Cl2N4O2/c1-5-26(6-2)19(27)15-11-13(8-10-18(15)25(3)4)23-20(28)24-14-7-9-16(21)17(22)12-14/h7-12H,5-6H2,1-4H3,(H2,23,24,28)
InChIKeyMWKGFBQKUUTQIX-UHFFFAOYSA-N
MW423.34 g/mol
LogP5.19
Rot. Bonds6

About 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide

5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide (PubChem CID 42659109) has the molecular formula C20H24Cl2N4O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide
PubChem CID42659109
Molecular FormulaC20H24Cl2N4O2
Molecular Weight423.34 g/mol
Exact Mass422.13
IUPAC Name5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N(C)C
InChIInChI=1S/C20H24Cl2N4O2/c1-5-26(6-2)19(27)15-11-13(8-10-18(15)25(3)4)23-20(28)24-14-7-9-16(21)17(22)12-14/h7-12H,5-6H2,1-4H3,(H2,23,24,28)
InChIKeyMWKGFBQKUUTQIX-UHFFFAOYSA-N
XLogP5.19
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.34
LogP ≤ 55.19
H-Bond Donors ≤ 52
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-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide
CID 3391950
2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide
CID 42747819
5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 771591
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide
CID 5021314
2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide
CID 3533936
5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide
CID 811746
N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 811745
2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide
CID 7125440
3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide
CID 42747665
N-benzyl-5-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-(dimethylamino)benzamide
CID 42659105
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 4563439

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide?
The IUPAC name of 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide (CID 42659109) is 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide?
The canonical SMILES for 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N(C)C.
What is the InChIKey of 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide?
The InChIKey is MWKGFBQKUUTQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O2/c1-5-26(6-2)19(27)15-11-13(8-10-18(15)25(3)4)23-20(28)24-14-7-9-16(21)17(22)12-14/h7-12H,5-6H2,1-4H3,(H2,23,24,28).
What are the key properties of 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide?
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide has a molecular weight of 423.34 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide is sourced from PubChem (CID 42659109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).