N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide

C18H21ClN2O2 — CID 67151519

IUPACN-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(CC[C@H](N)CO)cc1
InChIInChI=1S/C18H21ClN2O2/c1-21(18(23)14-5-7-15(19)8-6-14)17-10-3-13(4-11-17)2-9-16(20)12-22/h3-8,10-11,16,22H,2,9,12,20H2,1H3/t16-/m0/s1
InChIKeyPWOCWOZRGLWHGJ-INIZCTEOSA-N
MW332.83 g/mol
LogP2.87
Rot. Bonds6

About N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide

N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide (PubChem CID 67151519) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide
PubChem CID67151519
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(CC[C@H](N)CO)cc1
InChIInChI=1S/C18H21ClN2O2/c1-21(18(23)14-5-7-15(19)8-6-14)17-10-3-13(4-11-17)2-9-16(20)12-22/h3-8,10-11,16,22H,2,9,12,20H2,1H3/t16-/m0/s1
InChIKeyPWOCWOZRGLWHGJ-INIZCTEOSA-N
XLogP2.87
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-amino-4-hydroxybutyl)phenyl]-4-chloro-N-methylbenzamide
CID 67151520
(2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol
CID 67502477
N-(4-carbamothioylphenyl)-4-chloro-N-methylbenzamide
CID 62969966
4-amino-N-methyl-N-(4-propylphenyl)benzamide
CID 115160987
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-chlorophenyl)acetate
CID 33186337
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
1-(4-chlorophenyl)hexan-3-amine
CID 43370464
N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide
CID 28755656
4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60577488
N-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-N-methylbenzamide
CID 70473677
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide?
The IUPAC name of N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide (CID 67151519) is N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide.
What is the SMILES notation for N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide?
The canonical SMILES for N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1)c1ccc(CC[C@H](N)CO)cc1.
What is the InChIKey of N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide?
The InChIKey is PWOCWOZRGLWHGJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-21(18(23)14-5-7-15(19)8-6-14)17-10-3-13(4-11-17)2-9-16(20)12-22/h3-8,10-11,16,22H,2,9,12,20H2,1H3/t16-/m0/s1.
What are the key properties of N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide?
N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide has a molecular weight of 332.83 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide is sourced from PubChem (CID 67151519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).