N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide

C22H21ClN4O2 — CID 1162895

IUPACN-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide
SMILESNNC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H21ClN4O2/c23-17-11-12-19(26-22(29)16-9-5-2-6-10-16)18(13-17)21(25-14-20(28)27-24)15-7-3-1-4-8-15/h1-13,21,25H,14,24H2,(H,26,29)(H,27,28)/t21-/m1/s1
InChIKeySZWFOXJMXQEGLC-OAQYLSRUSA-N
MW408.89 g/mol
LogP3.26
Rot. Bonds7

About N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide

N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide (PubChem CID 1162895) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide
PubChem CID1162895
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC NameN-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide
SMILESNNC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H21ClN4O2/c23-17-11-12-19(26-22(29)16-9-5-2-6-10-16)18(13-17)21(25-14-20(28)27-24)15-7-3-1-4-8-15/h1-13,21,25H,14,24H2,(H,26,29)(H,27,28)/t21-/m1/s1
InChIKeySZWFOXJMXQEGLC-OAQYLSRUSA-N
XLogP3.26
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-[(S)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide
CID 1162893
N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide
CID 3780295
N-[4-bromo-2-[(S)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]-4-methoxybenzamide
CID 1162899
methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate
CID 788320
ethyl 2-[[(S)-[5-bromo-2-[(3-chlorobenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 1373172
N-[4-chloro-2-[(1R)-1-hydroxypropyl]phenyl]benzamide
CID 7337863
methyl 2-[[(R)-[5-chloro-2-[(2,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 124740110
methyl 2-[[(S)-[5-chloro-2-[(2,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 124740111
N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 59689121
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-3,4,5-triethoxybenzamide
CID 95733607
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733551
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide?
The IUPAC name of N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide (CID 1162895) is N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide.
What is the SMILES notation for N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide?
The canonical SMILES for N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide is NNC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide?
The InChIKey is SZWFOXJMXQEGLC-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-17-11-12-19(26-22(29)16-9-5-2-6-10-16)18(13-17)21(25-14-20(28)27-24)15-7-3-1-4-8-15/h1-13,21,25H,14,24H2,(H,26,29)(H,27,28)/t21-/m1/s1.
What are the key properties of N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide?
N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide has a molecular weight of 408.89 g/mol, XLogP of 3.26, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide is sourced from PubChem (CID 1162895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).