4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide

C19H18ClN3O2 — CID 5432243

IUPAC4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/NC(=O)C1CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12(22-23-19(25)15-2-3-15)13-6-10-17(11-7-13)21-18(24)14-4-8-16(20)9-5-14/h4-11,15H,2-3H2,1H3,(H,21,24)(H,23,25)/b22-12-
InChIKeyKTKAAJFDNHURGJ-UUYOSTAYSA-N
MW355.83 g/mol
LogP3.84
Rot. Bonds5

About 4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide

4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 5432243) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID5432243
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/NC(=O)C1CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12(22-23-19(25)15-2-3-15)13-6-10-17(11-7-13)21-18(24)14-4-8-16(20)9-5-14/h4-11,15H,2-3H2,1H3,(H,21,24)(H,23,25)/b22-12-
InChIKeyKTKAAJFDNHURGJ-UUYOSTAYSA-N
XLogP3.84
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.84
H-Bond Donors ≤ 52
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

4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4047404
N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237608
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552
N-[4-[N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 5099209
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
CID 4099820
N-[1-(4-bromophenyl)ethylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 4507337
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide
CID 3465432
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide
CID 6019410
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 136690060
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide (CID 5432243) is 4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide is C/C(=N/NC(=O)C1CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is KTKAAJFDNHURGJ-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12(22-23-19(25)15-2-3-15)13-6-10-17(11-7-13)21-18(24)14-4-8-16(20)9-5-14/h4-11,15H,2-3H2,1H3,(H,21,24)(H,23,25)/b22-12-.
What are the key properties of 4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide?
4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 355.83 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 5432243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).