N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide

C20H20Cl2N4O3 — CID 55615927

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
SMILESNC(=O)Nc1ccc(CNC(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C20H20Cl2N4O3/c21-14-8-13(9-15(22)10-14)19(28)26-7-1-2-17(26)18(27)24-11-12-3-5-16(6-4-12)25-20(23)29/h3-6,8-10,17H,1-2,7,11H2,(H,24,27)(H3,23,25,29)
InChIKeyKQCDYQRMWPHCGD-UHFFFAOYSA-N
MW435.31 g/mol
LogP3.40
Rot. Bonds5

About N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide

N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 55615927) has the molecular formula C20H20Cl2N4O3 and a molecular weight of 435.31 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
PubChem CID55615927
Molecular FormulaC20H20Cl2N4O3
Molecular Weight435.31 g/mol
Exact Mass434.09
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
SMILESNC(=O)Nc1ccc(CNC(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C20H20Cl2N4O3/c21-14-8-13(9-15(22)10-14)19(28)26-7-1-2-17(26)18(27)24-11-12-3-5-16(6-4-12)25-20(23)29/h3-6,8-10,17H,1-2,7,11H2,(H,24,27)(H3,23,25,29)
InChIKeyKQCDYQRMWPHCGD-UHFFFAOYSA-N
XLogP3.40
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorobenzoyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55840725
1-(3,5-dichlorobenzoyl)-N-[4-(sulfamoylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 55615882
(2S)-1-(3,5-dichlorobenzoyl)-N-[[4-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 95283981
N-[4-(azepane-1-carbonyl)phenyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55887233
1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55637087
1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293629
1-(3,5-dichlorobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 55607117
(2S)-1-(3,5-dichlorobenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 51938352
1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55912514
1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 119429601
(2R)-1-N-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468552
1-(3-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 46757142

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide (CID 55615927) is N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide is NC(=O)Nc1ccc(CNC(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is KQCDYQRMWPHCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O3/c21-14-8-13(9-15(22)10-14)19(28)26-7-1-2-17(26)18(27)24-11-12-3-5-16(6-4-12)25-20(23)29/h3-6,8-10,17H,1-2,7,11H2,(H,24,27)(H3,23,25,29).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide?
N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 435.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55615927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).