5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C17H26Cl2N4O2 — CID 119551027

IUPAC5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)C1CCNC1.Cl
InChIInChI=1S/C17H25ClN4O2.ClH/c1-17(2,3)21-16(24)20-11-5-6-14(18)13(9-11)15(23)22(4)12-7-8-19-10-12;/h5-6,9,12,19H,7-8,10H2,1-4H3,(H2,20,21,24);1H
InChIKeyNIPZNHGNGALRKF-UHFFFAOYSA-N
MW389.33 g/mol
LogP3.12
Rot. Bonds3

About 5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119551027) has the molecular formula C17H26Cl2N4O2 and a molecular weight of 389.33 g/mol. Its IUPAC name is 5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119551027
Molecular FormulaC17H26Cl2N4O2
Molecular Weight389.33 g/mol
Exact Mass388.14
IUPAC Name5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)C1CCNC1.Cl
InChIInChI=1S/C17H25ClN4O2.ClH/c1-17(2,3)21-16(24)20-11-5-6-14(18)13(9-11)15(23)22(4)12-7-8-19-10-12;/h5-6,9,12,19H,7-8,10H2,1-4H3,(H2,20,21,24);1H
InChIKeyNIPZNHGNGALRKF-UHFFFAOYSA-N
XLogP3.12
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(3,3-dimethylbutanoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554824
5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534483
2-[[5-(tert-butylcarbamoylamino)-2-chlorobenzoyl]-methylamino]acetic acid
CID 119172148
1-tert-butyl-3-[4-chloro-3-(2-methylpiperazine-1-carbonyl)phenyl]urea
CID 119470828
2-chloro-5-(3,3-dimethylbutanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119533243
2,4-dichloro-N-methyl-5-methylsulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551765
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 120574013
N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
CID 119626864
4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550546
4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554246
2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride
CID 119718978

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119551027) is 5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CN(C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)C1CCNC1.Cl.
What is the InChIKey of 5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is NIPZNHGNGALRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2.ClH/c1-17(2,3)21-16(24)20-11-5-6-14(18)13(9-11)15(23)22(4)12-7-8-19-10-12;/h5-6,9,12,19H,7-8,10H2,1-4H3,(H2,20,21,24);1H.
What are the key properties of 5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 389.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119551027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).