5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide

C24H24Cl2N4O2 — CID 4038266

IUPAC5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2Cl)ccc1N(C)C)c1ccccc1
InChIInChI=1S/C24H24Cl2N4O2/c1-15(16-7-5-4-6-8-16)27-23(31)19-14-18(10-12-22(19)30(2)3)28-24(32)29-21-11-9-17(25)13-20(21)26/h4-15H,1-3H3,(H,27,31)(H2,28,29,32)
InChIKeySQYQCRBGSZSIBI-UHFFFAOYSA-N
MW471.39 g/mol
LogP6.19
Rot. Bonds6

About 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide

5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide (PubChem CID 4038266) has the molecular formula C24H24Cl2N4O2 and a molecular weight of 471.39 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide
PubChem CID4038266
Molecular FormulaC24H24Cl2N4O2
Molecular Weight471.39 g/mol
Exact Mass470.13
IUPAC Name5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2Cl)ccc1N(C)C)c1ccccc1
InChIInChI=1S/C24H24Cl2N4O2/c1-15(16-7-5-4-6-8-16)27-23(31)19-14-18(10-12-22(19)30(2)3)28-24(32)29-21-11-9-17(25)13-20(21)26/h4-15H,1-3H3,(H,27,31)(H2,28,29,32)
InChIKeySQYQCRBGSZSIBI-UHFFFAOYSA-N
XLogP6.19
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.39
LogP ≤ 56.19
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

2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 7230440
ethyl 2-[[4-(dimethylamino)-3-(1-phenylethylcarbamoyl)phenyl]carbamoylamino]acetate
CID 5152715
5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 107863882
5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide
CID 42747404
N-benzyl-5-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-(dimethylamino)benzamide
CID 42659105
5-chloro-2-(1-phenylethylcarbamoylamino)benzoic acid
CID 23444449
5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 1064102
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54810893
N-[4-(dimethylamino)-3-(1-phenylethylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide
CID 3948039
1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea
CID 52501243
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide?
The IUPAC name of 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide (CID 4038266) is 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2Cl)ccc1N(C)C)c1ccccc1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide?
The InChIKey is SQYQCRBGSZSIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O2/c1-15(16-7-5-4-6-8-16)27-23(31)19-14-18(10-12-22(19)30(2)3)28-24(32)29-21-11-9-17(25)13-20(21)26/h4-15H,1-3H3,(H,27,31)(H2,28,29,32).
What are the key properties of 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide?
5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide has a molecular weight of 471.39 g/mol, XLogP of 6.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 4038266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).