3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide

C21H16ClNO — CID 806714

IUPAC3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1Cl
InChIInChI=1S/C21H16ClNO/c1-13-6-7-15(12-20(13)22)21(24)23-17-8-9-19-16(11-17)10-14-4-2-3-5-18(14)19/h2-9,11-12H,10H2,1H3,(H,23,24)
InChIKeyGWCYUVPHBSQSJS-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.47
Rot. Bonds2

About 3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide

3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide (PubChem CID 806714) has the molecular formula C21H16ClNO and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide
PubChem CID806714
Molecular FormulaC21H16ClNO
Molecular Weight333.82 g/mol
Exact Mass333.09
IUPAC Name3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1Cl
InChIInChI=1S/C21H16ClNO/c1-13-6-7-15(12-20(13)22)21(24)23-17-8-9-19-16(11-17)10-14-4-2-3-5-18(14)19/h2-9,11-12H,10H2,1H3,(H,23,24)
InChIKeyGWCYUVPHBSQSJS-UHFFFAOYSA-N
XLogP5.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
N-(9H-fluoren-2-yl)-3-methylfuran-2-carboxamide
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4-ethoxy-N-(9H-fluoren-2-yl)-3-methoxybenzamide
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N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide
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4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
3-(cyclopropanecarbonylamino)-N-(9H-fluoren-2-yl)benzamide
CID 34074777
N-(9H-fluoren-2-yl)-2-methoxy-3-methylbenzamide
CID 17102504
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide
CID 34074909
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
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CID 952306

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide?
The IUPAC name of 3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide (CID 806714) is 3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1Cl.
What is the InChIKey of 3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide?
The InChIKey is GWCYUVPHBSQSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO/c1-13-6-7-15(12-20(13)22)21(24)23-17-8-9-19-16(11-17)10-14-4-2-3-5-18(14)19/h2-9,11-12H,10H2,1H3,(H,23,24).
What are the key properties of 3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide?
3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide has a molecular weight of 333.82 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide is sourced from PubChem (CID 806714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).