2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide

C27H19ClN2O2 — CID 70059578

IUPAC2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1Cl
InChIInChI=1S/C27H19ClN2O2/c28-24-16-18(14-15-23(24)26(31)29-20-9-2-1-3-10-20)27(32)30-17-19-8-4-5-11-21(19)22-12-6-7-13-25(22)30/h1-16H,17H2,(H,29,31)
InChIKeyKVNMGFWRHRPGJR-UHFFFAOYSA-N
MW438.91 g/mol
LogP6.42
Rot. Bonds3

About 2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide

2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide (PubChem CID 70059578) has the molecular formula C27H19ClN2O2 and a molecular weight of 438.91 g/mol. Its IUPAC name is 2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide
PubChem CID70059578
Molecular FormulaC27H19ClN2O2
Molecular Weight438.91 g/mol
Exact Mass438.11
IUPAC Name2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1Cl
InChIInChI=1S/C27H19ClN2O2/c28-24-16-18(14-15-23(24)26(31)29-20-9-2-1-3-10-20)27(32)30-17-19-8-4-5-11-21(19)22-12-6-7-13-25(22)30/h1-16H,17H2,(H,29,31)
InChIKeyKVNMGFWRHRPGJR-UHFFFAOYSA-N
XLogP6.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
CID 70059373
2,4-dichloro-N-[2-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]benzamide
CID 70344026
2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide
CID 67625330
2,4-dichloro-N-[4-[9-(2,2,2-trifluoroacetyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]phenyl]benzamide
CID 139660674
N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-phenylbenzamide
CID 10459252
6H-phenanthridine-5-carbonyl chloride
CID 86183224
N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide
CID 67624769
2-[2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]phenyl]benzoic acid
CID 22405102
2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide
CID 67625377
6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one
CID 15656913
N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide
CID 54510181
N-[4-(8-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)phenyl]-2,3-dimethylbenzamide
CID 67624740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide?
The IUPAC name of 2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide (CID 70059578) is 2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide.
What is the SMILES notation for 2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide?
The canonical SMILES for 2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1Cl.
What is the InChIKey of 2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide?
The InChIKey is KVNMGFWRHRPGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2O2/c28-24-16-18(14-15-23(24)26(31)29-20-9-2-1-3-10-20)27(32)30-17-19-8-4-5-11-21(19)22-12-6-7-13-25(22)30/h1-16H,17H2,(H,29,31).
What are the key properties of 2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide?
2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide has a molecular weight of 438.91 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide is sourced from PubChem (CID 70059578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).