N-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine

C18H23ClN4O — CID 145379854

IUPACN-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine
SMILESCN.[H]/N=C(\c1ccc(Cl)cc1)c1cc(OC)ccc1N(C)/C(C)=N/[H]
InChIInChI=1S/C17H18ClN3O.CH5N/c1-11(19)21(2)16-9-8-14(22-3)10-15(16)17(20)12-4-6-13(18)7-5-12;1-2/h4-10,19-20H,1-3H3;2H2,1H3/b19-11+,20-17+;
InChIKeyUDMBLPAXNAKOIB-QBPNXZMQSA-N
MW346.86 g/mol
LogP3.77
Rot. Bonds4

About N-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine

N-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine (PubChem CID 145379854) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine.

Molecular Properties

Compound NameN-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine
PubChem CID145379854
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine
SMILESCN.[H]/N=C(\c1ccc(Cl)cc1)c1cc(OC)ccc1N(C)/C(C)=N/[H]
InChIInChI=1S/C17H18ClN3O.CH5N/c1-11(19)21(2)16-9-8-14(22-3)10-15(16)17(20)12-4-6-13(18)7-5-12;1-2/h4-10,19-20H,1-3H3;2H2,1H3/b19-11+,20-17+;
InChIKeyUDMBLPAXNAKOIB-QBPNXZMQSA-N
XLogP3.77
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline
CID 142255330
(4-methoxyphenyl)-phenylmethanimine
CID 10856767
3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine
CID 87796835
4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide
CID 142112568
6-methoxynaphthalene-2-carboximidamide
CID 3274917
2-chloro-1-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]-4-methoxybenzene
CID 165362713
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 82799311
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
2-(2,4-dichlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81302946
methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate
CID 170602546
methyl 2-chloro-4-methoxybenzenecarboximidothioate
CID 116827909

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine?
The IUPAC name of N-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine (CID 145379854) is N-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine.
What is the SMILES notation for N-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine?
The canonical SMILES for N-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine is CN.[H]/N=C(\c1ccc(Cl)cc1)c1cc(OC)ccc1N(C)/C(C)=N/[H].
What is the InChIKey of N-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine?
The InChIKey is UDMBLPAXNAKOIB-QBPNXZMQSA-N. The full InChI is InChI=1S/C17H18ClN3O.CH5N/c1-11(19)21(2)16-9-8-14(22-3)10-15(16)17(20)12-4-6-13(18)7-5-12;1-2/h4-10,19-20H,1-3H3;2H2,1H3/b19-11+,20-17+;.
What are the key properties of N-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine?
N-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine has a molecular weight of 346.86 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorobenzenecarboximidoyl)-4-methoxyphenyl]-N-methylethanimidamide;methanamine is sourced from PubChem (CID 145379854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).