5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide

C21H24ClN3O2 — CID 42751129

IUPAC5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)NC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCC1
InChIInChI=1S/C21H24ClN3O2/c1-14(2)23-21(27)18-13-17(8-9-19(18)25-10-3-4-11-25)24-20(26)15-6-5-7-16(22)12-15/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyDNTHJMFGHOLSJU-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.33
Rot. Bonds5

About 5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide

5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide (PubChem CID 42751129) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
PubChem CID42751129
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)NC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCC1
InChIInChI=1S/C21H24ClN3O2/c1-14(2)23-21(27)18-13-17(8-9-19(18)25-10-3-4-11-25)24-20(26)15-6-5-7-16(22)12-15/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyDNTHJMFGHOLSJU-UHFFFAOYSA-N
XLogP4.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.33
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-nitrobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 1063217
5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42659848
N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1065996
5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide
CID 1063350
N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3430014
5-[(2,4-dichlorophenyl)carbamoylamino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 1064102
N-[(2R)-butan-2-yl]-5-[(3-nitrobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 1059138
N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide
CID 1059167
N-[(2R)-butan-2-yl]-5-[(4-chlorophenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065276
5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3890028
3-chloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42747317
3-chloro-N-propan-2-ylbenzamide
CID 669184

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide (CID 42751129) is 5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide is CC(C)NC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCC1.
What is the InChIKey of 5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is DNTHJMFGHOLSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-14(2)23-21(27)18-13-17(8-9-19(18)25-10-3-4-11-25)24-20(26)15-6-5-7-16(22)12-15/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide?
5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 385.90 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42751129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).