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

C20H24Cl2N4O3 — CID 4002462

IUPAC5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N(C)C
InChIInChI=1S/C20H24Cl2N4O3/c1-26(2)18-8-6-13(11-15(18)19(27)23-9-4-10-29-3)24-20(28)25-14-5-7-16(21)17(22)12-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,27)(H2,24,25,28)
InChIKeyHYZGIEUWPCOELA-UHFFFAOYSA-N
MW439.34 g/mol
LogP4.47
Rot. Bonds8

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

5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide (PubChem CID 4002462) has the molecular formula C20H24Cl2N4O3 and a molecular weight of 439.34 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
PubChem CID4002462
Molecular FormulaC20H24Cl2N4O3
Molecular Weight439.34 g/mol
Exact Mass438.12
IUPAC Name5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N(C)C
InChIInChI=1S/C20H24Cl2N4O3/c1-26(2)18-8-6-13(11-15(18)19(27)23-9-4-10-29-3)24-20(28)25-14-5-7-16(21)17(22)12-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,27)(H2,24,25,28)
InChIKeyHYZGIEUWPCOELA-UHFFFAOYSA-N
XLogP4.47
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide
CID 3391950
5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 3667525
5-(cyclopropanecarbonylamino)-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 42747574
2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide
CID 3535205
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 42659109
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7230247
5-[(3,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3544747
2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide
CID 7356631
2-(dimethylamino)-N-(3-methoxypropyl)-5-(3-phenylprop-2-enoylamino)benzamide
CID 5160037
2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide
CID 3938181
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide
CID 7356424
5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide
CID 4551644

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide (CID 4002462) is 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide is COCCCNC(=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-(3-methoxypropyl)benzamide?
The InChIKey is HYZGIEUWPCOELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O3/c1-26(2)18-8-6-13(11-15(18)19(27)23-9-4-10-29-3)24-20(28)25-14-5-7-16(21)17(22)12-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,27)(H2,24,25,28).
What are the key properties of 5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide?
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide has a molecular weight of 439.34 g/mol, XLogP of 4.47, 8 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]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 4002462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).