N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide

C12H15ClN2O — CID 118524324

IUPACN-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide
SMILESC/C=C(\N)CCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O/c1-2-11(14)6-7-15-12(16)9-4-3-5-10(13)8-9/h2-5,8H,6-7,14H2,1H3,(H,15,16)/b11-2-
InChIKeyDJBMNUFZDYZHNB-FUQNDXKWSA-N
MW238.72 g/mol
LogP2.32
Rot. Bonds4

About N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide

N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide (PubChem CID 118524324) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide
PubChem CID118524324
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide
SMILESC/C=C(\N)CCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O/c1-2-11(14)6-7-15-12(16)9-4-3-5-10(13)8-9/h2-5,8H,6-7,14H2,1H3,(H,15,16)/b11-2-
InChIKeyDJBMNUFZDYZHNB-FUQNDXKWSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride
CID 18531817
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437
prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate
CID 108571431
3-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539491
tert-butyl N-[4-[(3-chlorobenzoyl)amino]butyl]carbamate
CID 139824741
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
3-chloro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571411
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
CID 113052148

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide?
The IUPAC name of N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide (CID 118524324) is N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide.
What is the SMILES notation for N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide?
The canonical SMILES for N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide is C/C=C(\N)CCNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide?
The InChIKey is DJBMNUFZDYZHNB-FUQNDXKWSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-2-11(14)6-7-15-12(16)9-4-3-5-10(13)8-9/h2-5,8H,6-7,14H2,1H3,(H,15,16)/b11-2-.
What are the key properties of N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide?
N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide has a molecular weight of 238.72 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide is sourced from PubChem (CID 118524324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).