5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide

C18H27ClN4O2 — CID 119534483

IUPAC5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCCC2CCNC2)c1
InChIInChI=1S/C18H27ClN4O2/c1-18(2,3)23-17(25)22-13-4-5-15(19)14(10-13)16(24)21-9-7-12-6-8-20-11-12/h4-5,10,12,20H,6-9,11H2,1-3H3,(H,21,24)(H2,22,23,25)
InChIKeyBGAWOSKAYRAXPB-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.99
Rot. Bonds5

About 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide

5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119534483) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119534483
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCCC2CCNC2)c1
InChIInChI=1S/C18H27ClN4O2/c1-18(2,3)23-17(25)22-13-4-5-15(19)14(10-13)16(24)21-9-7-12-6-8-20-11-12/h4-5,10,12,20H,6-9,11H2,1-3H3,(H,21,24)(H2,22,23,25)
InChIKeyBGAWOSKAYRAXPB-UHFFFAOYSA-N
XLogP2.99
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63622133
5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide
CID 119505718
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536475
5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551027
2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide
CID 74238360
2-chloro-4,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536489
N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
CID 119626864
7-[[5-(tert-butylcarbamoylamino)-2-chlorobenzoyl]amino]heptanoic acid
CID 119227411
2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535242
4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
1-(3,4-dichlorophenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563195

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119534483) is 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide is CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCCC2CCNC2)c1.
What is the InChIKey of 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is BGAWOSKAYRAXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2/c1-18(2,3)23-17(25)22-13-4-5-15(19)14(10-13)16(24)21-9-7-12-6-8-20-11-12/h4-5,10,12,20H,6-9,11H2,1-3H3,(H,21,24)(H2,22,23,25).
What are the key properties of 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide?
5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 366.89 g/mol, XLogP of 2.99, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119534483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).