5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide

C21H24Cl2N4O2 — CID 1064102

IUPAC5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)NC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2Cl)ccc1N1CCCC1
InChIInChI=1S/C21H24Cl2N4O2/c1-13(2)24-20(28)16-12-15(6-8-19(16)27-9-3-4-10-27)25-21(29)26-18-7-5-14(22)11-17(18)23/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyXJOQGLNZOYWAHV-UHFFFAOYSA-N
MW435.36 g/mol
LogP5.38
Rot. Bonds5

About 5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide

5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide (PubChem CID 1064102) has the molecular formula C21H24Cl2N4O2 and a molecular weight of 435.36 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
PubChem CID1064102
Molecular FormulaC21H24Cl2N4O2
Molecular Weight435.36 g/mol
Exact Mass434.13
IUPAC Name5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)NC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2Cl)ccc1N1CCCC1
InChIInChI=1S/C21H24Cl2N4O2/c1-13(2)24-20(28)16-12-15(6-8-19(16)27-9-3-4-10-27)25-21(29)26-18-7-5-14(22)11-17(18)23/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyXJOQGLNZOYWAHV-UHFFFAOYSA-N
XLogP5.38
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.36
LogP ≤ 55.38
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-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 42751563
N-[(2R)-butan-2-yl]-5-[(4-chlorophenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065276
5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 42751129
5-[(4-chlorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylbenzamide
CID 1064627
N-cyclopropyl-5-[(2,4-dichlorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42757365
5-[(2,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 4308801
5-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propan-2-ylbenzamide
CID 1064166
5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4012992
5-[(2,4-dichlorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide
CID 42660064
N-butan-2-yl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756297
N-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065146
N-butan-2-yl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 4992551

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide (CID 1064102) is 5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide is CC(C)NC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2Cl)ccc1N1CCCC1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is XJOQGLNZOYWAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O2/c1-13(2)24-20(28)16-12-15(6-8-19(16)27-9-3-4-10-27)25-21(29)26-18-7-5-14(22)11-17(18)23/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,28)(H2,25,26,29).
What are the key properties of 5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 435.36 g/mol, XLogP of 5.38, 5 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]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 1064102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).