N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide

C10H11ClN2O — CID 82508219

IUPACN-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(CN)ccc1Cl
InChIInChI=1S/C10H11ClN2O/c1-2-10(14)13-9-5-7(6-12)3-4-8(9)11/h2-5H,1,6,12H2,(H,13,14)
InChIKeyHYKJMCNDDVATPL-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.92
Rot. Bonds3

About N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide

N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide (PubChem CID 82508219) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide
PubChem CID82508219
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC NameN-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(CN)ccc1Cl
InChIInChI=1S/C10H11ClN2O/c1-2-10(14)13-9-5-7(6-12)3-4-8(9)11/h2-5H,1,6,12H2,(H,13,14)
InChIKeyHYKJMCNDDVATPL-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)phenyl]prop-2-enamide
CID 82503451
N-(4-chloro-3-pyridinyl)prop-2-enamide
CID 83167019
N-[2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
CID 118029333
2-chloro-5-(prop-2-enoylamino)benzamide
CID 43699183
N-(4-chloro-2-hydroxyphenyl)prop-2-enamide
CID 137321991
N-(6-chloro-1,3-benzodioxol-5-yl)prop-2-enamide
CID 43616646
N-(2-chloro-4-phenylphenyl)prop-2-enamide
CID 166408251
2-chloro-6-(prop-2-enoylamino)benzoic acid
CID 63723930
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide
CID 23938739
N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 43616303
1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
CID 63254522
N-[4-chloro-3-(cyanomethyl)phenyl]prop-2-enamide
CID 138106027

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide?
The IUPAC name of N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide (CID 82508219) is N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide?
The canonical SMILES for N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide is C=CC(=O)Nc1cc(CN)ccc1Cl.
What is the InChIKey of N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide?
The InChIKey is HYKJMCNDDVATPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-2-10(14)13-9-5-7(6-12)3-4-8(9)11/h2-5H,1,6,12H2,(H,13,14).
What are the key properties of N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide?
N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide has a molecular weight of 210.66 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-chlorophenyl]prop-2-enamide is sourced from PubChem (CID 82508219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).