3-(10-chloroanthracen-9-yl)prop-2-enamide

C17H12ClNO — CID 169482808

IUPAC3-(10-chloroanthracen-9-yl)prop-2-enamide
SMILESNC(=O)C=Cc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C17H12ClNO/c18-17-14-7-3-1-5-11(14)13(9-10-16(19)20)12-6-2-4-8-15(12)17/h1-10H,(H2,19,20)
InChIKeyBDWJBAZHGJWCCD-UHFFFAOYSA-N
MW281.74 g/mol
LogP4.14
Rot. Bonds2

About 3-(10-chloroanthracen-9-yl)prop-2-enamide

3-(10-chloroanthracen-9-yl)prop-2-enamide (PubChem CID 169482808) has the molecular formula C17H12ClNO and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-(10-chloroanthracen-9-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(10-chloroanthracen-9-yl)prop-2-enamide
PubChem CID169482808
Molecular FormulaC17H12ClNO
Molecular Weight281.74 g/mol
Exact Mass281.06
IUPAC Name3-(10-chloroanthracen-9-yl)prop-2-enamide
SMILESNC(=O)C=Cc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C17H12ClNO/c18-17-14-7-3-1-5-11(14)13(9-10-16(19)20)12-6-2-4-8-15(12)17/h1-10H,(H2,19,20)
InChIKeyBDWJBAZHGJWCCD-UHFFFAOYSA-N
XLogP4.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[(10-chloroanthracen-9-yl)methylideneamino]urea
CID 3282620
3-(2-amino-6-chlorophenyl)prop-2-enamide
CID 169481544
methyl 2-[3-[(E)-3-amino-3-oxoprop-1-enyl]-2-methylindol-1-yl]acetate
CID 170877439
3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
3-(3,5-dichloro-4-pyridinyl)prop-2-enamide
CID 169481565
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 47120041
(Z)-3-(3,5-dichlorophenyl)prop-2-enamide
CID 170876496
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide
CID 170876678
(E)-3-[1-methyl-2-(4-methylphenyl)sulfanylindol-3-yl]prop-2-enamide
CID 170876746
(E)-3-phenylprop-2-enamide;prop-2-enamide
CID 66955302

Frequently Asked Questions

What is the IUPAC name of 3-(10-chloroanthracen-9-yl)prop-2-enamide?
The IUPAC name of 3-(10-chloroanthracen-9-yl)prop-2-enamide (CID 169482808) is 3-(10-chloroanthracen-9-yl)prop-2-enamide.
What is the SMILES notation for 3-(10-chloroanthracen-9-yl)prop-2-enamide?
The canonical SMILES for 3-(10-chloroanthracen-9-yl)prop-2-enamide is NC(=O)C=Cc1c2ccccc2c(Cl)c2ccccc12.
What is the InChIKey of 3-(10-chloroanthracen-9-yl)prop-2-enamide?
The InChIKey is BDWJBAZHGJWCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO/c18-17-14-7-3-1-5-11(14)13(9-10-16(19)20)12-6-2-4-8-15(12)17/h1-10H,(H2,19,20).
What are the key properties of 3-(10-chloroanthracen-9-yl)prop-2-enamide?
3-(10-chloroanthracen-9-yl)prop-2-enamide has a molecular weight of 281.74 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-chloroanthracen-9-yl)prop-2-enamide is sourced from PubChem (CID 169482808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).