N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide

C19H21ClN2O2 — CID 4927381

IUPACN-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NN=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14(2)11-12-24-18-9-5-16(6-10-18)19(23)22-21-13-15-3-7-17(20)8-4-15/h3-10,13-14H,11-12H2,1-2H3,(H,22,23)
InChIKeyNRCXBFMUGAGXKX-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.53
Rot. Bonds7

About N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide

N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide (PubChem CID 4927381) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
PubChem CID4927381
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NN=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14(2)11-12-24-18-9-5-16(6-10-18)19(23)22-21-13-15-3-7-17(20)8-4-15/h3-10,13-14H,11-12H2,1-2H3,(H,22,23)
InChIKeyNRCXBFMUGAGXKX-UHFFFAOYSA-N
XLogP4.53
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4927373
4-(diethylamino)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
CID 2329144
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 8979784
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4927427
4-(3-methylbutoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4927366
N-[(2,3-dichlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927417
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
2-bromo-N-[(Z)-[4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
CID 7784387

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide (CID 4927381) is N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(C(=O)NN=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide?
The InChIKey is NRCXBFMUGAGXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14(2)11-12-24-18-9-5-16(6-10-18)19(23)22-21-13-15-3-7-17(20)8-4-15/h3-10,13-14H,11-12H2,1-2H3,(H,22,23).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide?
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide has a molecular weight of 344.84 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4927381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).