N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride

C15H24Cl2N4O2 — CID 120505174

IUPACN-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl.Cl
InChIInChI=1S/C15H23ClN4O2.ClH/c1-9(8-17)18-13(21)11-7-10(5-6-12(11)16)19-14(22)20-15(2,3)4;/h5-7,9H,8,17H2,1-4H3,(H,18,21)(H2,19,20,22);1H/t9-;/m0./s1
InChIKeyYTFPGCDGSALBEZ-FVGYRXGTSA-N
MW363.29 g/mol
LogP2.76
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride (PubChem CID 120505174) has the molecular formula C15H24Cl2N4O2 and a molecular weight of 363.29 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
PubChem CID120505174
Molecular FormulaC15H24Cl2N4O2
Molecular Weight363.29 g/mol
Exact Mass362.13
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl.Cl
InChIInChI=1S/C15H23ClN4O2.ClH/c1-9(8-17)18-13(21)11-7-10(5-6-12(11)16)19-14(22)20-15(2,3)4;/h5-7,9H,8,17H2,1-4H3,(H,18,21)(H2,19,20,22);1H/t9-;/m0./s1
InChIKeyYTFPGCDGSALBEZ-FVGYRXGTSA-N
XLogP2.76
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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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
5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride
CID 120506854
2-[[5-(tert-butylcarbamoylamino)-2-chlorobenzoyl]-methylamino]acetic acid
CID 119172148
N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide
CID 119419296
N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
CID 104872927
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547
7-[[5-(tert-butylcarbamoylamino)-2-chlorobenzoyl]amino]heptanoic acid
CID 119227411
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119609082
4-[[2-chloro-5-(3,3-dimethylbutanoylamino)benzoyl]amino]pentanoic acid
CID 120534859
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4-chlorophenyl]-3-tert-butylurea;hydrochloride
CID 120809764

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride (CID 120505174) is N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride is C[C@@H](CN)NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride?
The InChIKey is YTFPGCDGSALBEZ-FVGYRXGTSA-N. The full InChI is InChI=1S/C15H23ClN4O2.ClH/c1-9(8-17)18-13(21)11-7-10(5-6-12(11)16)19-14(22)20-15(2,3)4;/h5-7,9H,8,17H2,1-4H3,(H,18,21)(H2,19,20,22);1H/t9-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride has a molecular weight of 363.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride is sourced from PubChem (CID 120505174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).