5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide

C22H24ClN5O2 — CID 166213939

IUPAC5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)nc2ccccc12
InChIInChI=1S/C22H24ClN5O2/c1-13-15-7-5-6-8-18(15)27-19(25-13)12-24-20(29)16-11-14(9-10-17(16)23)26-21(30)28-22(2,3)4/h5-11H,12H2,1-4H3,(H,24,29)(H2,26,28,30)
InChIKeyWQXHXQWCMFNJLK-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.44
Rot. Bonds4

About 5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide

5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide (PubChem CID 166213939) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide
PubChem CID166213939
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)nc2ccccc12
InChIInChI=1S/C22H24ClN5O2/c1-13-15-7-5-6-8-18(15)27-19(25-13)12-24-20(29)16-11-14(9-10-17(16)23)26-21(30)28-22(2,3)4/h5-11H,12H2,1-4H3,(H,24,29)(H2,26,28,30)
InChIKeyWQXHXQWCMFNJLK-UHFFFAOYSA-N
XLogP4.44
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
CID 119626864
5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide
CID 119505718
7-[[5-(tert-butylcarbamoylamino)-2-chlorobenzoyl]amino]heptanoic acid
CID 119227411
2-[[5-(tert-butylcarbamoylamino)-2-chlorobenzoyl]-methylamino]acetic acid
CID 119172148
5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534483
N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
CID 120505174
6-cyclopropyl-N-[(4-methylquinazolin-2-yl)methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71880326
N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide
CID 55990925
5-fluoro-N-[(4-methylquinazolin-2-yl)methyl]-2-morpholin-4-ylbenzamide
CID 136524349
1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea
CID 71295974
N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide
CID 119419296
N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5043299

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide?
The IUPAC name of 5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide (CID 166213939) is 5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for 5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide?
The canonical SMILES for 5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide is Cc1nc(CNC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)nc2ccccc12.
What is the InChIKey of 5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide?
The InChIKey is WQXHXQWCMFNJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-13-15-7-5-6-8-18(15)27-19(25-13)12-24-20(29)16-11-14(9-10-17(16)23)26-21(30)28-22(2,3)4/h5-11H,12H2,1-4H3,(H,24,29)(H2,26,28,30).
What are the key properties of 5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide?
5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide has a molecular weight of 425.92 g/mol, XLogP of 4.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 166213939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).