N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride

C10H13Cl2FN2O — CID 120507470

IUPACN-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1cc(F)cc(Cl)c1.Cl
InChIInChI=1S/C10H12ClFN2O.ClH/c1-6(5-13)14-10(15)7-2-8(11)4-9(12)3-7;/h2-4,6H,5,13H2,1H3,(H,14,15);1H/t6-;/m0./s1
InChIKeyIRMBPKRWNDSOGW-RGMNGODLSA-N
MW267.13 g/mol
LogP1.98
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride (PubChem CID 120507470) has the molecular formula C10H13Cl2FN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride
PubChem CID120507470
Molecular FormulaC10H13Cl2FN2O
Molecular Weight267.13 g/mol
Exact Mass266.04
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1cc(F)cc(Cl)c1.Cl
InChIInChI=1S/C10H12ClFN2O.ClH/c1-6(5-13)14-10(15)7-2-8(11)4-9(12)3-7;/h2-4,6H,5,13H2,1H3,(H,14,15);1H/t6-;/m0./s1
InChIKeyIRMBPKRWNDSOGW-RGMNGODLSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride
CID 120509165
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532
N-(4-chlorobutan-2-yl)-3,5-difluorobenzamide
CID 83180651
N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide
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3-chloro-N-ethyl-5-fluorobenzamide
CID 125115811
N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
CID 104873137
3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide
CID 97350116
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709
N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride (CID 120507470) is N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride is C[C@@H](CN)NC(=O)c1cc(F)cc(Cl)c1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride?
The InChIKey is IRMBPKRWNDSOGW-RGMNGODLSA-N. The full InChI is InChI=1S/C10H12ClFN2O.ClH/c1-6(5-13)14-10(15)7-2-8(11)4-9(12)3-7;/h2-4,6H,5,13H2,1H3,(H,14,15);1H/t6-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride has a molecular weight of 267.13 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride is sourced from PubChem (CID 120507470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).