5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide

C18H27ClN4O2 — CID 120574013

IUPAC5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl
InChIInChI=1S/C18H27ClN4O2/c1-11-15(6-5-9-20-11)22-16(24)13-10-12(7-8-14(13)19)21-17(25)23-18(2,3)4/h7-8,10-11,15,20H,5-6,9H2,1-4H3,(H,22,24)(H2,21,23,25)
InChIKeyWLTPBXQWXYNQSH-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.13
Rot. Bonds3

About 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide

5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120574013) 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-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120574013
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl
InChIInChI=1S/C18H27ClN4O2/c1-11-15(6-5-9-20-11)22-16(24)13-10-12(7-8-14(13)19)21-17(25)23-18(2,3)4/h7-8,10-11,15,20H,5-6,9H2,1-4H3,(H,22,24)(H2,21,23,25)
InChIKeyWLTPBXQWXYNQSH-UHFFFAOYSA-N
XLogP3.13
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)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

2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide
CID 120574011
1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 114695150
2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120575501
1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79044134
1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79043190
3-chloro-2-methyl-N-(2-methylpiperidin-3-yl)benzamide
CID 107098369
5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534483
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264
2,5-dichloro-N-(2-methylpiperidin-3-yl)thiophene-3-carboxamide
CID 106813442
3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574123
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide (CID 120574013) is 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide is CC1NCCCC1NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl.
What is the InChIKey of 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is WLTPBXQWXYNQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2/c1-11-15(6-5-9-20-11)22-16(24)13-10-12(7-8-14(13)19)21-17(25)23-18(2,3)4/h7-8,10-11,15,20H,5-6,9H2,1-4H3,(H,22,24)(H2,21,23,25).
What are the key properties of 5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide?
5-(tert-butylcarbamoylamino)-2-chloro-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 366.89 g/mol, XLogP of 3.13, 3 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-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120574013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).